N-(5-methyl-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)propanamide

C8H10N6OS — CID 5301294

IUPACN-(5-methyl-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)propanamide
SMILESCc1cnc(NC(=O)CCn2cnnn2)s1
InChIInChI=1S/C8H10N6OS/c1-6-4-9-8(16-6)11-7(15)2-3-14-5-10-12-13-14/h4-5H,2-3H2,1H3,(H,9,11,15)
InChIKeyNOVZJJUQKYROIC-UHFFFAOYSA-N
MW238.28 g/mol
LogP0.47
Rot. Bonds4

About N-(5-methyl-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)propanamide

N-(5-methyl-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)propanamide (PubChem CID 5301294) has the molecular formula C8H10N6OS and a molecular weight of 238.28 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)propanamide
PubChem CID5301294
Molecular FormulaC8H10N6OS
Molecular Weight238.28 g/mol
Exact Mass238.06
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)propanamide
SMILESCc1cnc(NC(=O)CCn2cnnn2)s1
InChIInChI=1S/C8H10N6OS/c1-6-4-9-8(16-6)11-7(15)2-3-14-5-10-12-13-14/h4-5H,2-3H2,1H3,(H,9,11,15)
InChIKeyNOVZJJUQKYROIC-UHFFFAOYSA-N
XLogP0.47
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)propanamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)propanamide (CID 5301294) is N-(5-methyl-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)propanamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)propanamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)propanamide is Cc1cnc(NC(=O)CCn2cnnn2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)propanamide?
The InChIKey is NOVZJJUQKYROIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6OS/c1-6-4-9-8(16-6)11-7(15)2-3-14-5-10-12-13-14/h4-5H,2-3H2,1H3,(H,9,11,15).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)propanamide?
N-(5-methyl-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)propanamide has a molecular weight of 238.28 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 5301294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).