4-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide

C13H16N4O2S — CID 135858651

IUPAC4-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)sc1C(=O)NCc1cc(=O)[nH]cn1
InChIInChI=1S/C13H16N4O2S/c1-7(2)13-17-8(3)11(20-13)12(19)14-5-9-4-10(18)16-6-15-9/h4,6-7H,5H2,1-3H3,(H,14,19)(H,15,16,18)
InChIKeyBKIHWWAUBJDRJQ-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.59
Rot. Bonds4

About 4-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide

4-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 135858651) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID135858651
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name4-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)sc1C(=O)NCc1cc(=O)[nH]cn1
InChIInChI=1S/C13H16N4O2S/c1-7(2)13-17-8(3)11(20-13)12(19)14-5-9-4-10(18)16-6-15-9/h4,6-7H,5H2,1-3H3,(H,14,19)(H,15,16,18)
InChIKeyBKIHWWAUBJDRJQ-UHFFFAOYSA-N
XLogP1.59
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide (CID 135858651) is 4-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(C(C)C)sc1C(=O)NCc1cc(=O)[nH]cn1.
What is the InChIKey of 4-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is BKIHWWAUBJDRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-7(2)13-17-8(3)11(20-13)12(19)14-5-9-4-10(18)16-6-15-9/h4,6-7H,5H2,1-3H3,(H,14,19)(H,15,16,18).
What are the key properties of 4-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide?
4-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 135858651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).