N-[1-(hydroxymethyl)cyclohexyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide

C13H17N5O2S — CID 62520559

IUPACN-[1-(hydroxymethyl)cyclohexyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
SMILESO=C(NC1(CO)CCCCC1)c1sccc1-n1cnnn1
InChIInChI=1S/C13H17N5O2S/c19-8-13(5-2-1-3-6-13)15-12(20)11-10(4-7-21-11)18-9-14-16-17-18/h4,7,9,19H,1-3,5-6,8H2,(H,15,20)
InChIKeyJXUHYWJIEQSPEL-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.15
Rot. Bonds4

About N-[1-(hydroxymethyl)cyclohexyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide

N-[1-(hydroxymethyl)cyclohexyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide (PubChem CID 62520559) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclohexyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclohexyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
PubChem CID62520559
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC NameN-[1-(hydroxymethyl)cyclohexyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
SMILESO=C(NC1(CO)CCCCC1)c1sccc1-n1cnnn1
InChIInChI=1S/C13H17N5O2S/c19-8-13(5-2-1-3-6-13)15-12(20)11-10(4-7-21-11)18-9-14-16-17-18/h4,7,9,19H,1-3,5-6,8H2,(H,15,20)
InChIKeyJXUHYWJIEQSPEL-UHFFFAOYSA-N
XLogP1.15
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-hydroxy-2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]propanoic acid
CID 43357785
3-amino-N-[1-(hydroxymethyl)cyclohexyl]thiophene-2-carboxamide
CID 62526740
5-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]thiophene-2-carboxylic acid
CID 43474473
N-(2,3-dihydroxypropyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 66177071
N-[1-(hydroxymethyl)cyclohexyl]-3-methoxythiophene-2-carboxamide
CID 81122084
methyl 2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate
CID 43623271
3-(tetrazol-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide
CID 103730655
pyrrolidin-1-yl-[3-(tetrazol-1-yl)thiophen-2-yl]methanone
CID 47187933
N-[1-(hydroxymethyl)cyclopentyl]-3-phenylthiophene-2-carboxamide
CID 62519290
N-(pyrrolidin-2-ylmethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 119513985
3-bromo-N-[1-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide
CID 115878426
N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 127499899

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide (CID 62520559) is N-[1-(hydroxymethyl)cyclohexyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclohexyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclohexyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide is O=C(NC1(CO)CCCCC1)c1sccc1-n1cnnn1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclohexyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The InChIKey is JXUHYWJIEQSPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c19-8-13(5-2-1-3-6-13)15-12(20)11-10(4-7-21-11)18-9-14-16-17-18/h4,7,9,19H,1-3,5-6,8H2,(H,15,20).
What are the key properties of N-[1-(hydroxymethyl)cyclohexyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide?
N-[1-(hydroxymethyl)cyclohexyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide has a molecular weight of 307.38 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclohexyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 62520559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).