N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide

C16H20N4O2S — CID 11256035

IUPACN-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1ccc(C)c(NC(=O)c2cnc(NC(C)C)s2)c1
InChIInChI=1S/C16H20N4O2S/c1-9(2)19-16-18-8-13(23-16)15(22)20-12-7-11(14(21)17-4)6-5-10(12)3/h5-9H,1-4H3,(H,17,21)(H,18,19)(H,20,22)
InChIKeyVKUZYKGBWQZFIN-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.88
Rot. Bonds5

About N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide

N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (PubChem CID 11256035) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
PubChem CID11256035
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1ccc(C)c(NC(=O)c2cnc(NC(C)C)s2)c1
InChIInChI=1S/C16H20N4O2S/c1-9(2)19-16-18-8-13(23-16)15(22)20-12-7-11(14(21)17-4)6-5-10(12)3/h5-9H,1-4H3,(H,17,21)(H,18,19)(H,20,22)
InChIKeyVKUZYKGBWQZFIN-UHFFFAOYSA-N
XLogP2.88
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (CID 11256035) is N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is CNC(=O)c1ccc(C)c(NC(=O)c2cnc(NC(C)C)s2)c1.
What is the InChIKey of N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is VKUZYKGBWQZFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-9(2)19-16-18-8-13(23-16)15(22)20-12-7-11(14(21)17-4)6-5-10(12)3/h5-9H,1-4H3,(H,17,21)(H,18,19)(H,20,22).
What are the key properties of N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 11256035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).