3-methylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide

C12H13N3OS2 — CID 2594420

IUPAC3-methylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCSCCC(=O)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C12H13N3OS2/c1-17-7-5-11(16)15-12-14-10(8-18-12)9-4-2-3-6-13-9/h2-4,6,8H,5,7H2,1H3,(H,14,15,16)
InChIKeyRIMMVZCGQHXTDT-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.90
Rot. Bonds5

About 3-methylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide

3-methylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 2594420) has the molecular formula C12H13N3OS2 and a molecular weight of 279.39 g/mol. Its IUPAC name is 3-methylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-methylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
PubChem CID2594420
Molecular FormulaC12H13N3OS2
Molecular Weight279.39 g/mol
Exact Mass279.05
IUPAC Name3-methylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCSCCC(=O)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C12H13N3OS2/c1-17-7-5-11(16)15-12-14-10(8-18-12)9-4-2-3-6-13-9/h2-4,6,8H,5,7H2,1H3,(H,14,15,16)
InChIKeyRIMMVZCGQHXTDT-UHFFFAOYSA-N
XLogP2.90
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-methylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide (CID 2594420) is 3-methylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-methylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-methylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide is CSCCC(=O)Nc1nc(-c2ccccn2)cs1.
What is the InChIKey of 3-methylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is RIMMVZCGQHXTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS2/c1-17-7-5-11(16)15-12-14-10(8-18-12)9-4-2-3-6-13-9/h2-4,6,8H,5,7H2,1H3,(H,14,15,16).
What are the key properties of 3-methylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
3-methylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 279.39 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 2594420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).