N-[2-(diethylamino)ethyl]-N,4-dimethyl-2-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide

C21H31N3OS — CID 59338611

IUPACN-[2-(diethylamino)ethyl]-N,4-dimethyl-2-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
SMILESCCN(CC)CCN(C)C(=O)c1sc(-c2ccc(C(C)C)cc2)nc1C
InChIInChI=1S/C21H31N3OS/c1-7-24(8-2)14-13-23(6)21(25)19-16(5)22-20(26-19)18-11-9-17(10-12-18)15(3)4/h9-12,15H,7-8,13-14H2,1-6H3
InChIKeyXLGYDOUMZILMHR-UHFFFAOYSA-N
MW373.57 g/mol
LogP4.66
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-N,4-dimethyl-2-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide

N-[2-(diethylamino)ethyl]-N,4-dimethyl-2-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 59338611) has the molecular formula C21H31N3OS and a molecular weight of 373.57 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N,4-dimethyl-2-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N,4-dimethyl-2-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID59338611
Molecular FormulaC21H31N3OS
Molecular Weight373.57 g/mol
Exact Mass373.22
IUPAC NameN-[2-(diethylamino)ethyl]-N,4-dimethyl-2-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
SMILESCCN(CC)CCN(C)C(=O)c1sc(-c2ccc(C(C)C)cc2)nc1C
InChIInChI=1S/C21H31N3OS/c1-7-24(8-2)14-13-23(6)21(25)19-16(5)22-20(26-19)18-11-9-17(10-12-18)15(3)4/h9-12,15H,7-8,13-14H2,1-6H3
InChIKeyXLGYDOUMZILMHR-UHFFFAOYSA-N
XLogP4.66
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.57
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)ethyl]-2-(4-iodophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 143445165
N-[2-(diethylamino)ethyl]-N,4-dimethyl-2-(3-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 59338265
2-(3-chloro-4-fluorophenyl)-N-[2-(diethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 59338384
N-[2-(diethylamino)ethyl]-2-(2,6-difluorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 59338055
N-[2-(diethylamino)ethyl]-N,4-dimethyl-2-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide
CID 59338541
N-ethyl-N,4-dimethyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 134058026
3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid
CID 119362912
2-(4-butylphenyl)-N,4-dimethyl-N-propyl-1,3-thiazole-5-carboxamide
CID 143281454
N-(1-aminopropan-2-yl)-2-(4-chlorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 119583997
3-(diethylamino)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-1-one
CID 10018679
2-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-(diethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 59338363
3-[[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid
CID 119232512

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N,4-dimethyl-2-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-N,4-dimethyl-2-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide (CID 59338611) is N-[2-(diethylamino)ethyl]-N,4-dimethyl-2-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N,4-dimethyl-2-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N,4-dimethyl-2-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide is CCN(CC)CCN(C)C(=O)c1sc(-c2ccc(C(C)C)cc2)nc1C.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N,4-dimethyl-2-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is XLGYDOUMZILMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3OS/c1-7-24(8-2)14-13-23(6)21(25)19-16(5)22-20(26-19)18-11-9-17(10-12-18)15(3)4/h9-12,15H,7-8,13-14H2,1-6H3.
What are the key properties of N-[2-(diethylamino)ethyl]-N,4-dimethyl-2-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide?
N-[2-(diethylamino)ethyl]-N,4-dimethyl-2-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 373.57 g/mol, XLogP of 4.66, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-N,4-dimethyl-2-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59338611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).