N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-5-methylthiophene-2-carboxamide

C15H19N3O2S — CID 110127788

IUPACN-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)N[C@@H]2CCCC(n3ccnc3)[C@@H]2O)s1
InChIInChI=1S/C15H19N3O2S/c1-10-5-6-13(21-10)15(20)17-11-3-2-4-12(14(11)19)18-8-7-16-9-18/h5-9,11-12,14,19H,2-4H2,1H3,(H,17,20)/t11-,12?,14-/m1/s1
InChIKeySLPVISADNYXEQA-YXHCSQSYSA-N
MW305.40 g/mol
LogP2.14
Rot. Bonds3

About N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-5-methylthiophene-2-carboxamide

N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-5-methylthiophene-2-carboxamide (PubChem CID 110127788) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-5-methylthiophene-2-carboxamide
PubChem CID110127788
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)N[C@@H]2CCCC(n3ccnc3)[C@@H]2O)s1
InChIInChI=1S/C15H19N3O2S/c1-10-5-6-13(21-10)15(20)17-11-3-2-4-12(14(11)19)18-8-7-16-9-18/h5-9,11-12,14,19H,2-4H2,1H3,(H,17,20)/t11-,12?,14-/m1/s1
InChIKeySLPVISADNYXEQA-YXHCSQSYSA-N
XLogP2.14
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-5-methylthiophene-2-carboxamide (CID 110127788) is N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)N[C@@H]2CCCC(n3ccnc3)[C@@H]2O)s1.
What is the InChIKey of N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-5-methylthiophene-2-carboxamide?
The InChIKey is SLPVISADNYXEQA-YXHCSQSYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10-5-6-13(21-10)15(20)17-11-3-2-4-12(14(11)19)18-8-7-16-9-18/h5-9,11-12,14,19H,2-4H2,1H3,(H,17,20)/t11-,12?,14-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-5-methylthiophene-2-carboxamide?
N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-5-methylthiophene-2-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 110127788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).