3-(5-methyltetrazol-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide

C13H19N5OS — CID 46960745

IUPAC3-(5-methyltetrazol-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide
SMILESCc1nnnn1CCC(=O)NC(c1cccs1)C(C)C
InChIInChI=1S/C13H19N5OS/c1-9(2)13(11-5-4-8-20-11)14-12(19)6-7-18-10(3)15-16-17-18/h4-5,8-9,13H,6-7H2,1-3H3,(H,14,19)
InChIKeyFUWISZACJCTAJM-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.95
Rot. Bonds6

About 3-(5-methyltetrazol-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide

3-(5-methyltetrazol-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide (PubChem CID 46960745) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 3-(5-methyltetrazol-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(5-methyltetrazol-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide
PubChem CID46960745
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name3-(5-methyltetrazol-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide
SMILESCc1nnnn1CCC(=O)NC(c1cccs1)C(C)C
InChIInChI=1S/C13H19N5OS/c1-9(2)13(11-5-4-8-20-11)14-12(19)6-7-18-10(3)15-16-17-18/h4-5,8-9,13H,6-7H2,1-3H3,(H,14,19)
InChIKeyFUWISZACJCTAJM-UHFFFAOYSA-N
XLogP1.95
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[furan-2-yl(phenyl)methyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 131898891
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]propanamide
CID 52523120
N-[2-(methylamino)-2-oxo-1-phenylethyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 91795241
2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 63681207
2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 7447508
5-amino-N-(2-methyl-1-thiophen-2-ylpropyl)hexanamide
CID 82848158
N-[(1R)-3-methyl-1-pyridin-3-ylbutyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 125168942
N-(2-methyl-1-thiophen-2-ylpropyl)-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide
CID 24572333
N-[(4-chlorophenyl)-pyridin-4-ylmethyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 91765018
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 51214574
2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 46667554
1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea
CID 47023834

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyltetrazol-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide?
The IUPAC name of 3-(5-methyltetrazol-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide (CID 46960745) is 3-(5-methyltetrazol-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide.
What is the SMILES notation for 3-(5-methyltetrazol-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide?
The canonical SMILES for 3-(5-methyltetrazol-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide is Cc1nnnn1CCC(=O)NC(c1cccs1)C(C)C.
What is the InChIKey of 3-(5-methyltetrazol-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide?
The InChIKey is FUWISZACJCTAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-9(2)13(11-5-4-8-20-11)14-12(19)6-7-18-10(3)15-16-17-18/h4-5,8-9,13H,6-7H2,1-3H3,(H,14,19).
What are the key properties of 3-(5-methyltetrazol-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide?
3-(5-methyltetrazol-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide has a molecular weight of 293.40 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyltetrazol-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide is sourced from PubChem (CID 46960745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).