N-(2,3-dihydroxypropyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide

C9H11N5O3S — CID 66177071

IUPACN-(2,3-dihydroxypropyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
SMILESO=C(NCC(O)CO)c1sccc1-n1cnnn1
InChIInChI=1S/C9H11N5O3S/c15-4-6(16)3-10-9(17)8-7(1-2-18-8)14-5-11-12-13-14/h1-2,5-6,15-16H,3-4H2,(H,10,17)
InChIKeyJYTXQWMYOVARSX-UHFFFAOYSA-N
MW269.29 g/mol
LogP-1.19
Rot. Bonds5

About N-(2,3-dihydroxypropyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide

N-(2,3-dihydroxypropyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide (PubChem CID 66177071) has the molecular formula C9H11N5O3S and a molecular weight of 269.29 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
PubChem CID66177071
Molecular FormulaC9H11N5O3S
Molecular Weight269.29 g/mol
Exact Mass269.06
IUPAC NameN-(2,3-dihydroxypropyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
SMILESO=C(NCC(O)CO)c1sccc1-n1cnnn1
InChIInChI=1S/C9H11N5O3S/c15-4-6(16)3-10-9(17)8-7(1-2-18-8)14-5-11-12-13-14/h1-2,5-6,15-16H,3-4H2,(H,10,17)
InChIKeyJYTXQWMYOVARSX-UHFFFAOYSA-N
XLogP-1.19
TPSA113.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

3-(tetrazol-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide
CID 103730655
N-(4-hydroxy-2-methylbutyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 66108564
N-(3-amino-2-methylpropyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide;hydrochloride
CID 119995821
N-(5-hydroxy-4-methylpentyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 103862134
3-hydroxy-2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]propanoic acid
CID 43357785
methyl 2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate
CID 43623271
3-(tetrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide
CID 120813693
2-[2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]ethoxy]acetic acid
CID 79457635
N-(1H-pyrazol-4-ylmethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 54897166
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 103839754
N,N-dimethyl-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 47323771
N-(pyrrolidin-2-ylmethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 119513985

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide (CID 66177071) is N-(2,3-dihydroxypropyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide is O=C(NCC(O)CO)c1sccc1-n1cnnn1.
What is the InChIKey of N-(2,3-dihydroxypropyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The InChIKey is JYTXQWMYOVARSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O3S/c15-4-6(16)3-10-9(17)8-7(1-2-18-8)14-5-11-12-13-14/h1-2,5-6,15-16H,3-4H2,(H,10,17).
What are the key properties of N-(2,3-dihydroxypropyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide?
N-(2,3-dihydroxypropyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide has a molecular weight of 269.29 g/mol, XLogP of -1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 66177071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).