N-[(1R,2R)-2-methylcyclohexyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide

C14H19N5OS — CID 9128184

IUPACN-[(1R,2R)-2-methylcyclohexyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)Cn1nnc(-c2ccsc2)n1
InChIInChI=1S/C14H19N5OS/c1-10-4-2-3-5-12(10)15-13(20)8-19-17-14(16-18-19)11-6-7-21-9-11/h6-7,9-10,12H,2-5,8H2,1H3,(H,15,20)/t10-,12-/m1/s1
InChIKeyNKHOTPUCYBLRKK-ZYHUDNBSSA-N
MW305.41 g/mol
LogP2.10
Rot. Bonds4

About N-[(1R,2R)-2-methylcyclohexyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide

N-[(1R,2R)-2-methylcyclohexyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide (PubChem CID 9128184) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is N-[(1R,2R)-2-methylcyclohexyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-methylcyclohexyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
PubChem CID9128184
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC NameN-[(1R,2R)-2-methylcyclohexyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)Cn1nnc(-c2ccsc2)n1
InChIInChI=1S/C14H19N5OS/c1-10-4-2-3-5-12(10)15-13(20)8-19-17-14(16-18-19)11-6-7-21-9-11/h6-7,9-10,12H,2-5,8H2,1H3,(H,15,20)/t10-,12-/m1/s1
InChIKeyNKHOTPUCYBLRKK-ZYHUDNBSSA-N
XLogP2.10
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1R,2R)-2-methylcyclohexyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 11936841
N-[2-(hydroxymethyl)cyclopentyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 103774248
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 9355690
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7634930
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634183
N-[4-[2-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]tetrazol-5-yl]phenyl]pyridine-4-carboxamide
CID 3213133
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 4825781
N-methoxy-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 60709492
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 11899134
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128230
N-(2-hydroxyethyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 43416200
2-[5-(2-bromophenyl)tetrazol-2-yl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11920988

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methylcyclohexyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide?
The IUPAC name of N-[(1R,2R)-2-methylcyclohexyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide (CID 9128184) is N-[(1R,2R)-2-methylcyclohexyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[(1R,2R)-2-methylcyclohexyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide?
The canonical SMILES for N-[(1R,2R)-2-methylcyclohexyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide is C[C@@H]1CCCC[C@H]1NC(=O)Cn1nnc(-c2ccsc2)n1.
What is the InChIKey of N-[(1R,2R)-2-methylcyclohexyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide?
The InChIKey is NKHOTPUCYBLRKK-ZYHUDNBSSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-10-4-2-3-5-12(10)15-13(20)8-19-17-14(16-18-19)11-6-7-21-9-11/h6-7,9-10,12H,2-5,8H2,1H3,(H,15,20)/t10-,12-/m1/s1.
What are the key properties of N-[(1R,2R)-2-methylcyclohexyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide?
N-[(1R,2R)-2-methylcyclohexyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide has a molecular weight of 305.41 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methylcyclohexyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide is sourced from PubChem (CID 9128184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).