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

C18H19N5O3S — CID 11417763

IUPACN-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(C(=O)Nc2ccon2)cc1NC(=O)c1cnc(NC(C)C)s1
InChIInChI=1S/C18H19N5O3S/c1-10(2)20-18-19-9-14(27-18)17(25)21-13-8-12(5-4-11(13)3)16(24)22-15-6-7-26-23-15/h4-10H,1-3H3,(H,19,20)(H,21,25)(H,22,23,24)
InChIKeyQGJDHDIEZQDSIA-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.76
Rot. Bonds6

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

N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (PubChem CID 11417763) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
PubChem CID11417763
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC NameN-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(C(=O)Nc2ccon2)cc1NC(=O)c1cnc(NC(C)C)s1
InChIInChI=1S/C18H19N5O3S/c1-10(2)20-18-19-9-14(27-18)17(25)21-13-8-12(5-4-11(13)3)16(24)22-15-6-7-26-23-15/h4-10H,1-3H3,(H,19,20)(H,21,25)(H,22,23,24)
InChIKeyQGJDHDIEZQDSIA-UHFFFAOYSA-N
XLogP3.76
TPSA109.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (CID 11417763) is N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is Cc1ccc(C(=O)Nc2ccon2)cc1NC(=O)c1cnc(NC(C)C)s1.
What is the InChIKey of N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is QGJDHDIEZQDSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-10(2)20-18-19-9-14(27-18)17(25)21-13-8-12(5-4-11(13)3)16(24)22-15-6-7-26-23-15/h4-10H,1-3H3,(H,19,20)(H,21,25)(H,22,23,24).
What are the key properties of N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 3.76, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 11417763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).