3-(5-chlorothiophen-2-yl)-N-(2H-tetrazol-5-yl)propanamide

C8H8ClN5OS — CID 56824715

IUPAC3-(5-chlorothiophen-2-yl)-N-(2H-tetrazol-5-yl)propanamide
SMILESO=C(CCc1ccc(Cl)s1)Nc1nn[nH]n1
InChIInChI=1S/C8H8ClN5OS/c9-6-3-1-5(16-6)2-4-7(15)10-8-11-13-14-12-8/h1,3H,2,4H2,(H2,10,11,12,13,14,15)
InChIKeyQEBMJGGLSMRFTL-UHFFFAOYSA-N
MW257.71 g/mol
LogP1.49
Rot. Bonds4

About 3-(5-chlorothiophen-2-yl)-N-(2H-tetrazol-5-yl)propanamide

3-(5-chlorothiophen-2-yl)-N-(2H-tetrazol-5-yl)propanamide (PubChem CID 56824715) has the molecular formula C8H8ClN5OS and a molecular weight of 257.71 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-N-(2H-tetrazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-N-(2H-tetrazol-5-yl)propanamide
PubChem CID56824715
Molecular FormulaC8H8ClN5OS
Molecular Weight257.71 g/mol
Exact Mass257.01
IUPAC Name3-(5-chlorothiophen-2-yl)-N-(2H-tetrazol-5-yl)propanamide
SMILESO=C(CCc1ccc(Cl)s1)Nc1nn[nH]n1
InChIInChI=1S/C8H8ClN5OS/c9-6-3-1-5(16-6)2-4-7(15)10-8-11-13-14-12-8/h1,3H,2,4H2,(H2,10,11,12,13,14,15)
InChIKeyQEBMJGGLSMRFTL-UHFFFAOYSA-N
XLogP1.49
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.71
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-chlorothiophen-2-yl)-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)propanamide
CID 166581259
3-amino-N-(2H-tetrazol-5-yl)propanamide;hydrochloride
CID 130725338
3-(5-chlorothiophen-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
CID 120948373
3-(5-chlorothiophen-2-yl)-N-(2-methylsulfonylethyl)propanamide
CID 60545455
3-(5-chlorothiophen-2-yl)-N-(1-hydroxypropan-2-yl)propanamide
CID 78888236
N-[(1S)-1-[3-[(2S)-butan-2-yl]-1H-1,2,4-triazol-5-yl]ethyl]-3-(5-chlorothiophen-2-yl)propanamide
CID 100623068
N-(2-aminoethyl)-2-[3-(5-chlorothiophen-2-yl)propanoylamino]benzamide;hydrochloride
CID 120603678
2-(5-chlorothiophen-2-yl)ethylcarbamic acid
CID 115171101
3-(5-chlorothiophen-2-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119451026
N-[2-(4-aminophenyl)ethyl]-3-(5-chlorothiophen-2-yl)propanamide
CID 119548205
N-(1-amino-2-methylpropan-2-yl)-3-(5-chlorothiophen-2-yl)propanamide;hydrochloride
CID 119522559
(2S)-2-[3-(5-chlorothiophen-2-yl)propanoylamino]-2-cyclopropylpropanoic acid
CID 97337376

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-N-(2H-tetrazol-5-yl)propanamide?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-N-(2H-tetrazol-5-yl)propanamide (CID 56824715) is 3-(5-chlorothiophen-2-yl)-N-(2H-tetrazol-5-yl)propanamide.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-N-(2H-tetrazol-5-yl)propanamide?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-N-(2H-tetrazol-5-yl)propanamide is O=C(CCc1ccc(Cl)s1)Nc1nn[nH]n1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-N-(2H-tetrazol-5-yl)propanamide?
The InChIKey is QEBMJGGLSMRFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5OS/c9-6-3-1-5(16-6)2-4-7(15)10-8-11-13-14-12-8/h1,3H,2,4H2,(H2,10,11,12,13,14,15).
What are the key properties of 3-(5-chlorothiophen-2-yl)-N-(2H-tetrazol-5-yl)propanamide?
3-(5-chlorothiophen-2-yl)-N-(2H-tetrazol-5-yl)propanamide has a molecular weight of 257.71 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-N-(2H-tetrazol-5-yl)propanamide is sourced from PubChem (CID 56824715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).