3-(1,3-thiazol-2-yl)propanamide

C6H8N2OS — CID 45121787

IUPAC3-(1,3-thiazol-2-yl)propanamide
SMILESNC(=O)CCc1nccs1
InChIInChI=1S/C6H8N2OS/c7-5(9)1-2-6-8-3-4-10-6/h3-4H,1-2H2,(H2,7,9)
InChIKeyCGMMLBYRXNIYIM-UHFFFAOYSA-N
MW156.21 g/mol
LogP0.56
Rot. Bonds3

About 3-(1,3-thiazol-2-yl)propanamide

3-(1,3-thiazol-2-yl)propanamide (PubChem CID 45121787) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(1,3-thiazol-2-yl)propanamide
PubChem CID45121787
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC Name3-(1,3-thiazol-2-yl)propanamide
SMILESNC(=O)CCc1nccs1
InChIInChI=1S/C6H8N2OS/c7-5(9)1-2-6-8-3-4-10-6/h3-4H,1-2H2,(H2,7,9)
InChIKeyCGMMLBYRXNIYIM-UHFFFAOYSA-N
XLogP0.56
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-thiazol-2-yl)pentan-3-one
CID 58326627
2-(1,3-thiazol-2-ylmethylsulfanyl)acetamide
CID 56981215
6-(1,3-thiazol-2-yl)hexan-2-one
CID 134309859
2-(1,3-thiazol-2-yl)ethanol;hydrochloride
CID 173116939
molecular hydrogen;1,3-thiazol-2-ylmethyl carbamate
CID 143737487
2-(1,3-thiazol-2-ylmethyl)prop-2-enamide
CID 57004643
1-cyclopropyl-4-(1,3-thiazol-2-yl)butan-1-one
CID 79824416
2-[(2-amino-2-oxoethyl)-(1,3-thiazol-2-ylmethyl)amino]acetic acid
CID 107440499
3-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 69134787
5-[3-(1,3-thiazol-2-yl)propanoylamino]pentanoic acid
CID 119235090
3-[3-(1,3-thiazole-2-carbonyl)phenyl]propanamide
CID 69462546
1,3-thiazol-2-amine;urea
CID 87216573

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(1,3-thiazol-2-yl)propanamide (CID 45121787) is 3-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(1,3-thiazol-2-yl)propanamide is NC(=O)CCc1nccs1.
What is the InChIKey of 3-(1,3-thiazol-2-yl)propanamide?
The InChIKey is CGMMLBYRXNIYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS/c7-5(9)1-2-6-8-3-4-10-6/h3-4H,1-2H2,(H2,7,9).
What are the key properties of 3-(1,3-thiazol-2-yl)propanamide?
3-(1,3-thiazol-2-yl)propanamide has a molecular weight of 156.21 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 45121787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).