N-[(2S)-1-[4-[2-[4-amino-6-ethyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide

C22H29F3N6O2S — CID 147882903

IUPACN-[(2S)-1-[4-[2-[4-amino-6-ethyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCCc1nc(C(F)(F)F)nc(N)c1CCC1CCN(C(=O)[C@H](C)NC(=O)c2csc(C)n2)CC1
InChIInChI=1S/C22H29F3N6O2S/c1-4-16-15(18(26)30-21(29-16)22(23,24)25)6-5-14-7-9-31(10-8-14)20(33)12(2)27-19(32)17-11-34-13(3)28-17/h11-12,14H,4-10H2,1-3H3,(H,27,32)(H2,26,29,30)/t12-/m0/s1
InChIKeyIAUACOVBDCVKLP-LBPRGKRZSA-N
MW498.58 g/mol
LogP3.39
Rot. Bonds7

About N-[(2S)-1-[4-[2-[4-amino-6-ethyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide

N-[(2S)-1-[4-[2-[4-amino-6-ethyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 147882903) has the molecular formula C22H29F3N6O2S and a molecular weight of 498.58 g/mol. Its IUPAC name is N-[(2S)-1-[4-[2-[4-amino-6-ethyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[4-[2-[4-amino-6-ethyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID147882903
Molecular FormulaC22H29F3N6O2S
Molecular Weight498.58 g/mol
Exact Mass498.20
IUPAC NameN-[(2S)-1-[4-[2-[4-amino-6-ethyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCCc1nc(C(F)(F)F)nc(N)c1CCC1CCN(C(=O)[C@H](C)NC(=O)c2csc(C)n2)CC1
InChIInChI=1S/C22H29F3N6O2S/c1-4-16-15(18(26)30-21(29-16)22(23,24)25)6-5-14-7-9-31(10-8-14)20(33)12(2)27-19(32)17-11-34-13(3)28-17/h11-12,14H,4-10H2,1-3H3,(H,27,32)(H2,26,29,30)/t12-/m0/s1
InChIKeyIAUACOVBDCVKLP-LBPRGKRZSA-N
XLogP3.39
TPSA114.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(2S)-1-[4-[2-[4-amino-6-ethyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

[2-amino-4-[[(3S)-1-hydroxyhexan-3-yl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 71695973
[2-amino-4-[[(3S)-1-hydroxyheptan-3-yl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 117715778
[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1,3-thiazol-4-yl)methanone
CID 145980044
[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 145990833
[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-amino-1,3-thiazol-4-yl)methanone
CID 145989284
N-allyl-2-cyclopropyl-7-(1,3-thiazol-4-ylcarbonyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 56886135
N-[cis-3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 91793720
2-methyl-N-(1-(2-methyl-6-(trifluoromethyl)pyrimidin-4-yl)piperidin-4-yl)thiazole-4-carboxamide
CID 91631432
N-[1-[4-[2-[4-amino-6-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide
CID 122632310
N-[(2S)-1-[4-[2-[4-amino-6-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 122632312
N-[(2S)-1-[4-[2-[4-amino-6-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide
CID 134364164
N-[(2S)-1-[4-[2-[4-amino-6-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]-1-oxopropan-2-yl]thiadiazole-4-carboxamide
CID 134364191

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-[2-[4-amino-6-ethyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2S)-1-[4-[2-[4-amino-6-ethyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide (CID 147882903) is N-[(2S)-1-[4-[2-[4-amino-6-ethyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-[4-[2-[4-amino-6-ethyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2S)-1-[4-[2-[4-amino-6-ethyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide is CCc1nc(C(F)(F)F)nc(N)c1CCC1CCN(C(=O)[C@H](C)NC(=O)c2csc(C)n2)CC1.
What is the InChIKey of N-[(2S)-1-[4-[2-[4-amino-6-ethyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is IAUACOVBDCVKLP-LBPRGKRZSA-N. The full InChI is InChI=1S/C22H29F3N6O2S/c1-4-16-15(18(26)30-21(29-16)22(23,24)25)6-5-14-7-9-31(10-8-14)20(33)12(2)27-19(32)17-11-34-13(3)28-17/h11-12,14H,4-10H2,1-3H3,(H,27,32)(H2,26,29,30)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-[4-[2-[4-amino-6-ethyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide?
N-[(2S)-1-[4-[2-[4-amino-6-ethyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 498.58 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[4-[2-[4-amino-6-ethyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 147882903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).