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

C7H10N2OS — CID 69134787

IUPAC3-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cnc(CCC(N)=O)s1
InChIInChI=1S/C7H10N2OS/c1-5-4-9-7(11-5)3-2-6(8)10/h4H,2-3H2,1H3,(H2,8,10)
InChIKeyWPPVIQGGHMLTQL-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.87
Rot. Bonds3

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

3-(5-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 69134787) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 3-(5-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(5-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID69134787
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name3-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cnc(CCC(N)=O)s1
InChIInChI=1S/C7H10N2OS/c1-5-4-9-7(11-5)3-2-6(8)10/h4H,2-3H2,1H3,(H2,8,10)
InChIKeyWPPVIQGGHMLTQL-UHFFFAOYSA-N
XLogP0.87
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-4-(5-methyl-1,3-thiazol-2-yl)butan-2-one
CID 82406553
ethyl 3-(5-methyl-1,3-thiazol-2-yl)propanoate
CID 90403348
2-(5-methyl-1,3-thiazol-2-yl)ethylurea
CID 130652199
(5-methyl-1,3-thiazol-2-yl)methylurea
CID 103708250
N'-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanimidamide
CID 130708139
2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 103696917
1-ethoxy-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 91649459
3-(1,3-thiazol-2-yl)propanamide
CID 45121787
3-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 1497792
4-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 103814822
2-hexyl-5-methyl-1,3-thiazole
CID 91750864
N-methyl-2-(methylamino)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 120705402

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(5-methyl-1,3-thiazol-2-yl)propanamide (CID 69134787) is 3-(5-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(5-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(5-methyl-1,3-thiazol-2-yl)propanamide is Cc1cnc(CCC(N)=O)s1.
What is the InChIKey of 3-(5-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is WPPVIQGGHMLTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-5-4-9-7(11-5)3-2-6(8)10/h4H,2-3H2,1H3,(H2,8,10).
What are the key properties of 3-(5-methyl-1,3-thiazol-2-yl)propanamide?
3-(5-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 170.24 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 69134787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).