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

C19H24F3N7O2S — CID 134364191

IUPACN-[(2S)-1-[4-[2-[4-amino-6-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]-1-oxopropan-2-yl]thiadiazole-4-carboxamide
SMILESCc1nc(C(F)(F)F)nc(N)c1CCC1CCN(C(=O)[C@H](C)NC(=O)c2csnn2)CC1
InChIInChI=1S/C19H24F3N7O2S/c1-10-13(15(23)26-18(25-10)19(20,21)22)4-3-12-5-7-29(8-6-12)17(31)11(2)24-16(30)14-9-32-28-27-14/h9,11-12H,3-8H2,1-2H3,(H,24,30)(H2,23,25,26)/t11-/m0/s1
InChIKeyIZDGWSVYNBZCKO-NSHDSACASA-N
MW471.51 g/mol
LogP2.23
Rot. Bonds6

About 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

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 (PubChem CID 134364191) has the molecular formula C19H24F3N7O2S and a molecular weight of 471.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(2S)-1-[4-[2-[4-amino-6-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]-1-oxopropan-2-yl]thiadiazole-4-carboxamide
PubChem CID134364191
Molecular FormulaC19H24F3N7O2S
Molecular Weight471.51 g/mol
Exact Mass471.17
IUPAC NameN-[(2S)-1-[4-[2-[4-amino-6-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]-1-oxopropan-2-yl]thiadiazole-4-carboxamide
SMILESCc1nc(C(F)(F)F)nc(N)c1CCC1CCN(C(=O)[C@H](C)NC(=O)c2csnn2)CC1
InChIInChI=1S/C19H24F3N7O2S/c1-10-13(15(23)26-18(25-10)19(20,21)22)4-3-12-5-7-29(8-6-12)17(31)11(2)24-16(30)14-9-32-28-27-14/h9,11-12H,3-8H2,1-2H3,(H,24,30)(H2,23,25,26)/t11-/m0/s1
InChIKeyIZDGWSVYNBZCKO-NSHDSACASA-N
XLogP2.23
TPSA126.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc(C(F)(F)F)nc(N)c1CCC1CCN(C(=O)[C@H](C)NC(=O)c2csnn2)CC1.
What is the InChIKey of 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?
The InChIKey is IZDGWSVYNBZCKO-NSHDSACASA-N. The full InChI is InChI=1S/C19H24F3N7O2S/c1-10-13(15(23)26-18(25-10)19(20,21)22)4-3-12-5-7-29(8-6-12)17(31)11(2)24-16(30)14-9-32-28-27-14/h9,11-12H,3-8H2,1-2H3,(H,24,30)(H2,23,25,26)/t11-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 471.51 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134364191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).