N-(1-propyltetrazol-5-yl)thiophene-2-carboxamide

C9H11N5OS — CID 851480

IUPACN-(1-propyltetrazol-5-yl)thiophene-2-carboxamide
SMILESCCCn1nnnc1NC(=O)c1cccs1
InChIInChI=1S/C9H11N5OS/c1-2-5-14-9(11-12-13-14)10-8(15)7-4-3-6-16-7/h3-4,6H,2,5H2,1H3,(H,10,11,13,15)
InChIKeyQNTKHVXKWRFNIW-UHFFFAOYSA-N
MW237.29 g/mol
LogP1.40
Rot. Bonds4

About N-(1-propyltetrazol-5-yl)thiophene-2-carboxamide

N-(1-propyltetrazol-5-yl)thiophene-2-carboxamide (PubChem CID 851480) has the molecular formula C9H11N5OS and a molecular weight of 237.29 g/mol. Its IUPAC name is N-(1-propyltetrazol-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-propyltetrazol-5-yl)thiophene-2-carboxamide
PubChem CID851480
Molecular FormulaC9H11N5OS
Molecular Weight237.29 g/mol
Exact Mass237.07
IUPAC NameN-(1-propyltetrazol-5-yl)thiophene-2-carboxamide
SMILESCCCn1nnnc1NC(=O)c1cccs1
InChIInChI=1S/C9H11N5OS/c1-2-5-14-9(11-12-13-14)10-8(15)7-4-3-6-16-7/h3-4,6H,2,5H2,1H3,(H,10,11,13,15)
InChIKeyQNTKHVXKWRFNIW-UHFFFAOYSA-N
XLogP1.40
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(Ethylthio)-1,3,4-thiadiazol-2-yl]-2-thiophenecarboxamide
CID 871907
N-((2-methyl-2H-tetrazol-5-yl)carbamothioyl)thiophene-2-carboxamide
CID 1989141
(3-Amino-[1,2,4]triazol-4-yl)-thiophen-2-yl-methanone
CID 649991
2-(1-Ethyl-1H-tetrazol-5-ylsulfanyl)-N-thiophen-2-ylmethyl-acetamide
CID 655634
2-(1-Propyl-1H-tetrazol-5-ylsulfanyl)-N-thiophen-2-ylmethyl-acetamide
CID 655852
N-[(2-butyltetrazol-5-yl)carbamothioyl]thiophene-2-carboxamide
CID 2219069
N-[(2-propyltetrazol-5-yl)carbamothioyl]thiophene-2-carboxamide
CID 893253
N-(2-methyl-2H-tetrazol-5-yl)thiophene-2-carboxamide
CID 938124
[3,5-bis(dimethylamino)-1H-1,2,4-triazol-1-yl](2-thienyl)methanone
CID 3744368
1-butyl-N-(thiophen-2-ylmethyl)tetrazol-5-amine
CID 1817890
N-[3-(1,2,4-triazol-1-yl)propyl]thiophene-2-carboxamide
CID 20266523
N-(2-ethyltetrazol-5-yl)thiophene-2-carboxamide
CID 2215355

Frequently Asked Questions

What is the IUPAC name of N-(1-propyltetrazol-5-yl)thiophene-2-carboxamide?
The IUPAC name of N-(1-propyltetrazol-5-yl)thiophene-2-carboxamide (CID 851480) is N-(1-propyltetrazol-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-propyltetrazol-5-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-propyltetrazol-5-yl)thiophene-2-carboxamide is CCCn1nnnc1NC(=O)c1cccs1.
What is the InChIKey of N-(1-propyltetrazol-5-yl)thiophene-2-carboxamide?
The InChIKey is QNTKHVXKWRFNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS/c1-2-5-14-9(11-12-13-14)10-8(15)7-4-3-6-16-7/h3-4,6H,2,5H2,1H3,(H,10,11,13,15).
What are the key properties of N-(1-propyltetrazol-5-yl)thiophene-2-carboxamide?
N-(1-propyltetrazol-5-yl)thiophene-2-carboxamide has a molecular weight of 237.29 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propyltetrazol-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 851480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).