N-cyclopropyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine

C18H22F3N5S — CID 126890847

IUPACN-cyclopropyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1nc(CN2CCC(N(c3cc(C(F)(F)F)ncn3)C3CC3)CC2)cs1
InChIInChI=1S/C18H22F3N5S/c1-12-24-13(10-27-12)9-25-6-4-15(5-7-25)26(14-2-3-14)17-8-16(18(19,20)21)22-11-23-17/h8,10-11,14-15H,2-7,9H2,1H3
InChIKeyDNLCEEUDIUOLIV-UHFFFAOYSA-N
MW397.47 g/mol
LogP3.89
Rot. Bonds5

About N-cyclopropyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine

N-cyclopropyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 126890847) has the molecular formula C18H22F3N5S and a molecular weight of 397.47 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID126890847
Molecular FormulaC18H22F3N5S
Molecular Weight397.47 g/mol
Exact Mass397.15
IUPAC NameN-cyclopropyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1nc(CN2CCC(N(c3cc(C(F)(F)F)ncn3)C3CC3)CC2)cs1
InChIInChI=1S/C18H22F3N5S/c1-12-24-13(10-27-12)9-25-6-4-15(5-7-25)26(14-2-3-14)17-8-16(18(19,20)21)22-11-23-17/h8,10-11,14-15H,2-7,9H2,1H3
InChIKeyDNLCEEUDIUOLIV-UHFFFAOYSA-N
XLogP3.89
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine with MolForge

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Related Compounds

N-cyclopropyl-N-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890925
N-cyclopropyl-N-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890944
N,6-dimethyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126889315
N-cyclopropyl-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890935
N-cyclopropyl-N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890934
5-[[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one
CID 126890921
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 60643680
2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 90542147
N-cyclopropyl-N-piperidin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 126851873
N-cyclopropyl-N-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126890588
cyclopropyl-[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
CID 126890785
2-methyl-4-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 122134396

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (CID 126890847) is N-cyclopropyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is Cc1nc(CN2CCC(N(c3cc(C(F)(F)F)ncn3)C3CC3)CC2)cs1.
What is the InChIKey of N-cyclopropyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is DNLCEEUDIUOLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N5S/c1-12-24-13(10-27-12)9-25-6-4-15(5-7-25)26(14-2-3-14)17-8-16(18(19,20)21)22-11-23-17/h8,10-11,14-15H,2-7,9H2,1H3.
What are the key properties of N-cyclopropyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
N-cyclopropyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 397.47 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 126890847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).