N-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide

C21H24N4O2S — CID 86824224

IUPACN-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)N(CCN(C)C)Cc3cccnc3)cs2)cc1
InChIInChI=1S/C21H24N4O2S/c1-24(2)11-12-25(14-16-5-4-10-22-13-16)21(26)19-15-28-20(23-19)17-6-8-18(27-3)9-7-17/h4-10,13,15H,11-12,14H2,1-3H3
InChIKeyDBOPQPYCQJYMDR-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.42
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide

N-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 86824224) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID86824224
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC NameN-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)N(CCN(C)C)Cc3cccnc3)cs2)cc1
InChIInChI=1S/C21H24N4O2S/c1-24(2)11-12-25(14-16-5-4-10-22-13-16)21(26)19-15-28-20(23-19)17-6-8-18(27-3)9-7-17/h4-10,13,15H,11-12,14H2,1-3H3
InChIKeyDBOPQPYCQJYMDR-UHFFFAOYSA-N
XLogP3.42
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-ethylphenyl)methyl]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 35541680
N-benzyl-N-ethyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 110648241
N-[2-(dimethylamino)ethyl]-4-methyl-2-phenyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 86824226
2-(4-methoxyphenyl)-N-methyl-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 55710289
3-(3,5-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea
CID 87009010
N-benzyl-2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 24609849
1-benzyl-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)triazole-4-carboxamide
CID 86824246
N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)propanamide
CID 61243414
2-(furan-2-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 99186712
N,N-diethyl-2-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42866037
N-[2-(dimethylamino)ethyl]-6-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 86824285
2-(4-methoxyphenyl)-N-(1-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 51256063

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide (CID 86824224) is N-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide is COc1ccc(-c2nc(C(=O)N(CCN(C)C)Cc3cccnc3)cs2)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is DBOPQPYCQJYMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-24(2)11-12-25(14-16-5-4-10-22-13-16)21(26)19-15-28-20(23-19)17-6-8-18(27-3)9-7-17/h4-10,13,15H,11-12,14H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
N-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 396.52 g/mol, XLogP of 3.42, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 86824224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).