N,N-diethyl-2-(4-methylanilino)-1,3-thiazole-4-carboxamide

C15H19N3OS — CID 654109

IUPACN,N-diethyl-2-(4-methylanilino)-1,3-thiazole-4-carboxamide
SMILESCCN(CC)C(=O)c1csc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C15H19N3OS/c1-4-18(5-2)14(19)13-10-20-15(17-13)16-12-8-6-11(3)7-9-12/h6-10H,4-5H2,1-3H3,(H,16,17)
InChIKeyIMTVMNYHZDXPGX-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.68
Rot. Bonds5

About N,N-diethyl-2-(4-methylanilino)-1,3-thiazole-4-carboxamide

N,N-diethyl-2-(4-methylanilino)-1,3-thiazole-4-carboxamide (PubChem CID 654109) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N,N-diethyl-2-(4-methylanilino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-(4-methylanilino)-1,3-thiazole-4-carboxamide
PubChem CID654109
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN,N-diethyl-2-(4-methylanilino)-1,3-thiazole-4-carboxamide
SMILESCCN(CC)C(=O)c1csc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C15H19N3OS/c1-4-18(5-2)14(19)13-10-20-15(17-13)16-12-8-6-11(3)7-9-12/h6-10H,4-5H2,1-3H3,(H,16,17)
InChIKeyIMTVMNYHZDXPGX-UHFFFAOYSA-N
XLogP3.68
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-(2-Amino-1,3-thiazol-4-yl)phenyl)acetamide
CID 519881
2-(Acetylamino)-N-[2-(Piperidin-1-Yl)phenyl]-1,3-Thiazole-4-Carboxamide
CID 39005031
3-acetamido-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2571939
N-(4-methyl-1,3-thiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 2574102
N,N-diethyl-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide
CID 3903218
2-(naphthalen-1-ylamino)-N-propyl-1,3-thiazole-4-carboxamide
CID 4267746
[3-(3,4-Dimethylanilino)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 24793976
{2-[(4-Methylphenyl)amino]-1,3-thiazol-4-yl}(4-methylpiperidin-1-yl)methanone
CID 1096815
N-(4-(2-(4-((amino(imino)methyl)amino)phenyl)ethyl)-1,3-thiazol-2-yl)acetamide
CID 9817917
2-(2,6-dimethylanilino)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 10408130
N-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 21914735
N-[4-(2-{4-[(iminomethyl)amino]phenyl)ethyl)-1,3-thiazol-2-yl]acetamide
CID 21914878

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(4-methylanilino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N,N-diethyl-2-(4-methylanilino)-1,3-thiazole-4-carboxamide (CID 654109) is N,N-diethyl-2-(4-methylanilino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-2-(4-methylanilino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-2-(4-methylanilino)-1,3-thiazole-4-carboxamide is CCN(CC)C(=O)c1csc(Nc2ccc(C)cc2)n1.
What is the InChIKey of N,N-diethyl-2-(4-methylanilino)-1,3-thiazole-4-carboxamide?
The InChIKey is IMTVMNYHZDXPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-4-18(5-2)14(19)13-10-20-15(17-13)16-12-8-6-11(3)7-9-12/h6-10H,4-5H2,1-3H3,(H,16,17).
What are the key properties of N,N-diethyl-2-(4-methylanilino)-1,3-thiazole-4-carboxamide?
N,N-diethyl-2-(4-methylanilino)-1,3-thiazole-4-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-methylanilino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 654109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).