N,N-dimethyl-3-oxo-5-(4-propan-2-ylanilino)-1,2-thiazole-4-carboxamide

C15H19N3O2S — CID 58712236

IUPACN,N-dimethyl-3-oxo-5-(4-propan-2-ylanilino)-1,2-thiazole-4-carboxamide
SMILESCC(C)c1ccc(Nc2s[nH]c(=O)c2C(=O)N(C)C)cc1
InChIInChI=1S/C15H19N3O2S/c1-9(2)10-5-7-11(8-6-10)16-14-12(13(19)17-21-14)15(20)18(3)4/h5-9,16H,1-4H3,(H,17,19)
InChIKeyIJMJFHNIFSWGEQ-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.01
Rot. Bonds4

About N,N-dimethyl-3-oxo-5-(4-propan-2-ylanilino)-1,2-thiazole-4-carboxamide

N,N-dimethyl-3-oxo-5-(4-propan-2-ylanilino)-1,2-thiazole-4-carboxamide (PubChem CID 58712236) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N,N-dimethyl-3-oxo-5-(4-propan-2-ylanilino)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3-oxo-5-(4-propan-2-ylanilino)-1,2-thiazole-4-carboxamide
PubChem CID58712236
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN,N-dimethyl-3-oxo-5-(4-propan-2-ylanilino)-1,2-thiazole-4-carboxamide
SMILESCC(C)c1ccc(Nc2s[nH]c(=O)c2C(=O)N(C)C)cc1
InChIInChI=1S/C15H19N3O2S/c1-9(2)10-5-7-11(8-6-10)16-14-12(13(19)17-21-14)15(20)18(3)4/h5-9,16H,1-4H3,(H,17,19)
InChIKeyIJMJFHNIFSWGEQ-UHFFFAOYSA-N
XLogP3.01
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-3-oxo-5-(4-propan-2-ylanilino)-1,2-thiazole-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N'-(cyclohexylmethyl)-3-oxo-5-(4-propan-2-ylanilino)-1,2-thiazole-4-carboximidamide
CID 59135045
1-N,4-N-bis(4-propan-2-ylphenyl)benzene-1,4-diamine
CID 71359938
3-methyl-5-(4-propan-2-ylanilino)-1,2-thiazole-4-carboxylic acid
CID 79402756
1-methyl-3-[3-oxo-5-[(6-propan-2-yl-3-pyridinyl)amino]-1,2-thiazol-4-yl]urea
CID 58712504
3-oxo-N'-propan-2-yl-5-(4-pyrimidin-5-yloxyanilino)-1,2-thiazole-4-carboximidamide
CID 59798233
4-(4-propan-2-ylanilino)phenol
CID 21326552
N,N-dimethyl-2-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 8911338
methyl 3-(dimethylamino)-3-(4-propan-2-ylphenyl)propanoate
CID 116910166
5-[4-(3-iodophenoxy)anilino]-3-oxo-N'-propan-2-yl-1,2-thiazole-4-carboximidamide
CID 59862544
4-propan-2-yl-5-(4-propan-2-ylanilino)cyclohexa-3,5-diene-1,2-dione
CID 118284103
2,4-dimethyl-6-oxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide
CID 136890119
5-[3-chloro-4-(2,3-dichlorophenoxy)anilino]-3-oxo-N'-propan-2-yl-1,2-thiazole-4-carboximidamide
CID 59135046

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-oxo-5-(4-propan-2-ylanilino)-1,2-thiazole-4-carboxamide?
The IUPAC name of N,N-dimethyl-3-oxo-5-(4-propan-2-ylanilino)-1,2-thiazole-4-carboxamide (CID 58712236) is N,N-dimethyl-3-oxo-5-(4-propan-2-ylanilino)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-3-oxo-5-(4-propan-2-ylanilino)-1,2-thiazole-4-carboxamide?
The canonical SMILES for N,N-dimethyl-3-oxo-5-(4-propan-2-ylanilino)-1,2-thiazole-4-carboxamide is CC(C)c1ccc(Nc2s[nH]c(=O)c2C(=O)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-3-oxo-5-(4-propan-2-ylanilino)-1,2-thiazole-4-carboxamide?
The InChIKey is IJMJFHNIFSWGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-9(2)10-5-7-11(8-6-10)16-14-12(13(19)17-21-14)15(20)18(3)4/h5-9,16H,1-4H3,(H,17,19).
What are the key properties of N,N-dimethyl-3-oxo-5-(4-propan-2-ylanilino)-1,2-thiazole-4-carboxamide?
N,N-dimethyl-3-oxo-5-(4-propan-2-ylanilino)-1,2-thiazole-4-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-oxo-5-(4-propan-2-ylanilino)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 58712236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).