N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-1,3-thiazole-4-carboxamide

C15H21N5O2S — CID 128993823

IUPACN-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)(O)c1cn([C@@H]2CCCC[C@@H]2NC(=O)c2cscn2)nn1
InChIInChI=1S/C15H21N5O2S/c1-15(2,22)13-7-20(19-18-13)12-6-4-3-5-10(12)17-14(21)11-8-23-9-16-11/h7-10,12,22H,3-6H2,1-2H3,(H,17,21)/t10-,12+/m0/s1
InChIKeyRGRVBHOKPJQTLZ-CMPLNLGQSA-N
MW335.43 g/mol
LogP1.88
Rot. Bonds4

About N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-1,3-thiazole-4-carboxamide

N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-1,3-thiazole-4-carboxamide (PubChem CID 128993823) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-1,3-thiazole-4-carboxamide
PubChem CID128993823
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC NameN-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)(O)c1cn([C@@H]2CCCC[C@@H]2NC(=O)c2cscn2)nn1
InChIInChI=1S/C15H21N5O2S/c1-15(2,22)13-7-20(19-18-13)12-6-4-3-5-10(12)17-14(21)11-8-23-9-16-11/h7-10,12,22H,3-6H2,1-2H3,(H,17,21)/t10-,12+/m0/s1
InChIKeyRGRVBHOKPJQTLZ-CMPLNLGQSA-N
XLogP1.88
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-1,3-thiazole-4-carboxamide (CID 128993823) is N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-1,3-thiazole-4-carboxamide is CC(C)(O)c1cn([C@@H]2CCCC[C@@H]2NC(=O)c2cscn2)nn1.
What is the InChIKey of N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-1,3-thiazole-4-carboxamide?
The InChIKey is RGRVBHOKPJQTLZ-CMPLNLGQSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-15(2,22)13-7-20(19-18-13)12-6-4-3-5-10(12)17-14(21)11-8-23-9-16-11/h7-10,12,22H,3-6H2,1-2H3,(H,17,21)/t10-,12+/m0/s1.
What are the key properties of N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-1,3-thiazole-4-carboxamide?
N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-1,3-thiazole-4-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 128993823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).