N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide

C15H13N5O2S — CID 110903617

IUPACN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
SMILESO=C(NC1c2ccccc2CC1O)c1sccc1-n1cnnn1
InChIInChI=1S/C15H13N5O2S/c21-12-7-9-3-1-2-4-10(9)13(12)17-15(22)14-11(5-6-23-14)20-8-16-18-19-20/h1-6,8,12-13,21H,7H2,(H,17,22)
InChIKeyKZDAJFHJOLUZRP-UHFFFAOYSA-N
MW327.37 g/mol
LogP1.11
Rot. Bonds3

About N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide

N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide (PubChem CID 110903617) has the molecular formula C15H13N5O2S and a molecular weight of 327.37 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
PubChem CID110903617
Molecular FormulaC15H13N5O2S
Molecular Weight327.37 g/mol
Exact Mass327.08
IUPAC NameN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
SMILESO=C(NC1c2ccccc2CC1O)c1sccc1-n1cnnn1
InChIInChI=1S/C15H13N5O2S/c21-12-7-9-3-1-2-4-10(9)13(12)17-15(22)14-11(5-6-23-14)20-8-16-18-19-20/h1-6,8,12-13,21H,7H2,(H,17,22)
InChIKeyKZDAJFHJOLUZRP-UHFFFAOYSA-N
XLogP1.11
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-bromo-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiophene-2-carboxamide
CID 98559419
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 96525299
N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 127499899
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methoxythiophene-2-carboxamide
CID 96526031
N-phenylmethoxy-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 60788006
3-bromo-N-(2-bromo-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide
CID 114312819
3-[cyclopropyl-[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]propanoic acid
CID 60845060
5-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]thiophene-2-carboxylic acid
CID 43474473
N,N-dimethyl-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 47323771
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxamide
CID 104629828
methyl 2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate
CID 43623271
N-(pyrrolidin-2-ylmethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 119513985

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The IUPAC name of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide (CID 110903617) is N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide is O=C(NC1c2ccccc2CC1O)c1sccc1-n1cnnn1.
What is the InChIKey of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The InChIKey is KZDAJFHJOLUZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2S/c21-12-7-9-3-1-2-4-10(9)13(12)17-15(22)14-11(5-6-23-14)20-8-16-18-19-20/h1-6,8,12-13,21H,7H2,(H,17,22).
What are the key properties of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide?
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide has a molecular weight of 327.37 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 110903617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).