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

C9H8F3N5O2S — CID 103730655

IUPAC3-(tetrazol-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)c1sccc1-n1cnnn1
InChIInChI=1S/C9H8F3N5O2S/c10-9(11,12)6(18)3-13-8(19)7-5(1-2-20-7)17-4-14-15-16-17/h1-2,4,6,18H,3H2,(H,13,19)
InChIKeyLAUFOSRUWHTBNA-UHFFFAOYSA-N
MW307.26 g/mol
LogP0.38
Rot. Bonds4

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

3-(tetrazol-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide (PubChem CID 103730655) has the molecular formula C9H8F3N5O2S and a molecular weight of 307.26 g/mol. Its IUPAC name is 3-(tetrazol-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(tetrazol-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide
PubChem CID103730655
Molecular FormulaC9H8F3N5O2S
Molecular Weight307.26 g/mol
Exact Mass307.04
IUPAC Name3-(tetrazol-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)c1sccc1-n1cnnn1
InChIInChI=1S/C9H8F3N5O2S/c10-9(11,12)6(18)3-13-8(19)7-5(1-2-20-7)17-4-14-15-16-17/h1-2,4,6,18H,3H2,(H,13,19)
InChIKeyLAUFOSRUWHTBNA-UHFFFAOYSA-N
XLogP0.38
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.26
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,3-dihydroxypropyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 66177071
N-(3-amino-2-methylpropyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide;hydrochloride
CID 119995821
3-(tetrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide
CID 120813693
N-(4-hydroxy-2-methylbutyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 66108564
methyl 2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate
CID 43623271
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 103839754
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
2-[2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]ethoxy]acetic acid
CID 79457635
N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 55967098
N-(2-piperazin-1-ylethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide;hydrochloride
CID 119448553
N-(1H-pyrazol-4-ylmethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 54897166

Frequently Asked Questions

What is the IUPAC name of 3-(tetrazol-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide?
The IUPAC name of 3-(tetrazol-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide (CID 103730655) is 3-(tetrazol-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-(tetrazol-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide?
The canonical SMILES for 3-(tetrazol-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide is O=C(NCC(O)C(F)(F)F)c1sccc1-n1cnnn1.
What is the InChIKey of 3-(tetrazol-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide?
The InChIKey is LAUFOSRUWHTBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5O2S/c10-9(11,12)6(18)3-13-8(19)7-5(1-2-20-7)17-4-14-15-16-17/h1-2,4,6,18H,3H2,(H,13,19).
What are the key properties of 3-(tetrazol-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide?
3-(tetrazol-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide has a molecular weight of 307.26 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tetrazol-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide is sourced from PubChem (CID 103730655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).