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

C17H24N4O2S — CID 128994036

IUPACN-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)N[C@H]1CCCC[C@H]1n1cc(C(C)(C)O)nn1
InChIInChI=1S/C17H24N4O2S/c1-11-8-9-24-15(11)16(22)18-12-6-4-5-7-13(12)21-10-14(19-20-21)17(2,3)23/h8-10,12-13,23H,4-7H2,1-3H3,(H,18,22)/t12-,13+/m0/s1
InChIKeyPXRYTWBZUYAWOY-QWHCGFSZSA-N
MW348.47 g/mol
LogP2.79
Rot. Bonds4

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

N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-3-methylthiophene-2-carboxamide (PubChem CID 128994036) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-3-methylthiophene-2-carboxamide
PubChem CID128994036
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC NameN-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)N[C@H]1CCCC[C@H]1n1cc(C(C)(C)O)nn1
InChIInChI=1S/C17H24N4O2S/c1-11-8-9-24-15(11)16(22)18-12-6-4-5-7-13(12)21-10-14(19-20-21)17(2,3)23/h8-10,12-13,23H,4-7H2,1-3H3,(H,18,22)/t12-,13+/m0/s1
InChIKeyPXRYTWBZUYAWOY-QWHCGFSZSA-N
XLogP2.79
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-3-methylthiophene-2-carboxamide (CID 128994036) is N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)N[C@H]1CCCC[C@H]1n1cc(C(C)(C)O)nn1.
What is the InChIKey of N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-3-methylthiophene-2-carboxamide?
The InChIKey is PXRYTWBZUYAWOY-QWHCGFSZSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-11-8-9-24-15(11)16(22)18-12-6-4-5-7-13(12)21-10-14(19-20-21)17(2,3)23/h8-10,12-13,23H,4-7H2,1-3H3,(H,18,22)/t12-,13+/m0/s1.
What are the key properties of N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-3-methylthiophene-2-carboxamide?
N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-3-methylthiophene-2-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 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]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 128994036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).