3-(4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide

C16H15N5O2S — CID 135933507

IUPAC3-(4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
SMILESCc1nc[nH]c(=O)c1CCC(=O)Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C16H15N5O2S/c1-10-12(15(23)19-9-18-10)4-5-14(22)21-16-20-13(8-24-16)11-3-2-6-17-7-11/h2-3,6-9H,4-5H2,1H3,(H,18,19,23)(H,20,21,22)
InChIKeyZFABXRUBNMWUBX-UHFFFAOYSA-N
MW341.40 g/mol
LogP2.17
Rot. Bonds5

About 3-(4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide

3-(4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 135933507) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is 3-(4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
PubChem CID135933507
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC Name3-(4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
SMILESCc1nc[nH]c(=O)c1CCC(=O)Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C16H15N5O2S/c1-10-12(15(23)19-9-18-10)4-5-14(22)21-16-20-13(8-24-16)11-3-2-6-17-7-11/h2-3,6-9H,4-5H2,1H3,(H,18,19,23)(H,20,21,22)
InChIKeyZFABXRUBNMWUBX-UHFFFAOYSA-N
XLogP2.17
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-phenyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
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3-(2-methylphenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
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3-phenoxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
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CID 2539487
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
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2-(2,4-dimethylphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
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N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135954920
2-oxo-N-[4-[3-oxo-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]propyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide
CID 75120103
6-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
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N-(2,6-dimethylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide (CID 135933507) is 3-(4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide is Cc1nc[nH]c(=O)c1CCC(=O)Nc1nc(-c2cccnc2)cs1.
What is the InChIKey of 3-(4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is ZFABXRUBNMWUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c1-10-12(15(23)19-9-18-10)4-5-14(22)21-16-20-13(8-24-16)11-3-2-6-17-7-11/h2-3,6-9H,4-5H2,1H3,(H,18,19,23)(H,20,21,22).
What are the key properties of 3-(4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
3-(4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 341.40 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 135933507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).