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

C12H13N3OS — CID 4800922

IUPAC2-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
SMILESCC(C)C(=O)Nc1nc(-c2ccncc2)cs1
InChIInChI=1S/C12H13N3OS/c1-8(2)11(16)15-12-14-10(7-17-12)9-3-5-13-6-4-9/h3-8H,1-2H3,(H,14,15,16)
InChIKeyBMZMUXRCWKXNEA-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.80
Rot. Bonds3

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

2-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 4800922) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
PubChem CID4800922
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name2-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
SMILESCC(C)C(=O)Nc1nc(-c2ccncc2)cs1
InChIInChI=1S/C12H13N3OS/c1-8(2)11(16)15-12-14-10(7-17-12)9-3-5-13-6-4-9/h3-8H,1-2H3,(H,14,15,16)
InChIKeyBMZMUXRCWKXNEA-UHFFFAOYSA-N
XLogP2.80
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]benzoate
CID 17424348
N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 896408
2-(4-methylphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 43951124
[1-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 23803090
(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 153333164
2-methyl-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanamide
CID 58181819
N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-2-propan-2-ylsulfonylpropanamide
CID 55965522
4-propan-2-ylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 16875244
2-methyl-3-(methylamino)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 119670232
2-methyl-4-propan-2-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 75489730
2-amino-4-methyl-N-[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]pentanamide
CID 155026660
(2S)-2-amino-4-methyl-N-[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]pentanamide
CID 154668589

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide (CID 4800922) is 2-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide is CC(C)C(=O)Nc1nc(-c2ccncc2)cs1.
What is the InChIKey of 2-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is BMZMUXRCWKXNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-8(2)11(16)15-12-14-10(7-17-12)9-3-5-13-6-4-9/h3-8H,1-2H3,(H,14,15,16).
What are the key properties of 2-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide?
2-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 247.32 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 4800922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).