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

C19H27N3OS2 — CID 59338541

IUPACN-[2-(diethylamino)ethyl]-N,4-dimethyl-2-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide
SMILESCCN(CC)CCN(C)C(=O)c1sc(-c2cccc(SC)c2)nc1C
InChIInChI=1S/C19H27N3OS2/c1-6-22(7-2)12-11-21(4)19(23)17-14(3)20-18(25-17)15-9-8-10-16(13-15)24-5/h8-10,13H,6-7,11-12H2,1-5H3
InChIKeyRPOJUAOUGPTSJT-UHFFFAOYSA-N
MW377.58 g/mol
LogP4.25
Rot. Bonds8

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

N-[2-(diethylamino)ethyl]-N,4-dimethyl-2-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 59338541) has the molecular formula C19H27N3OS2 and a molecular weight of 377.58 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N,4-dimethyl-2-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N,4-dimethyl-2-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID59338541
Molecular FormulaC19H27N3OS2
Molecular Weight377.58 g/mol
Exact Mass377.16
IUPAC NameN-[2-(diethylamino)ethyl]-N,4-dimethyl-2-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide
SMILESCCN(CC)CCN(C)C(=O)c1sc(-c2cccc(SC)c2)nc1C
InChIInChI=1S/C19H27N3OS2/c1-6-22(7-2)12-11-21(4)19(23)17-14(3)20-18(25-17)15-9-8-10-16(13-15)24-5/h8-10,13H,6-7,11-12H2,1-5H3
InChIKeyRPOJUAOUGPTSJT-UHFFFAOYSA-N
XLogP4.25
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.58
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(diethylamino)ethyl]-N,4-dimethyl-2-(3-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 59338265
N-[2-(diethylamino)ethyl]-2-(2,6-difluorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 59338055
2-(3-chloro-4-fluorophenyl)-N-[2-(diethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 59338384
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-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 59338611
N-ethyl-N,4-dimethyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 134058026
2-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-(diethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 59338363
N,4-dimethyl-2-phenyl-N-(3-phenylpropyl)-1,3-thiazole-5-carboxamide
CID 55710205
2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 78855413
N-butyl-2-(3-chlorophenyl)-N-ethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 134015239
2-(4-butylphenyl)-N,4-dimethyl-N-propyl-1,3-thiazole-5-carboxamide
CID 143281454
2-(3-chlorophenyl)-N,4-dimethyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,3-thiazole-5-carboxamide
CID 97259892

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N,4-dimethyl-2-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-N,4-dimethyl-2-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide (CID 59338541) is N-[2-(diethylamino)ethyl]-N,4-dimethyl-2-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N,4-dimethyl-2-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N,4-dimethyl-2-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide is CCN(CC)CCN(C)C(=O)c1sc(-c2cccc(SC)c2)nc1C.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N,4-dimethyl-2-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is RPOJUAOUGPTSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3OS2/c1-6-22(7-2)12-11-21(4)19(23)17-14(3)20-18(25-17)15-9-8-10-16(13-15)24-5/h8-10,13H,6-7,11-12H2,1-5H3.
What are the key properties of N-[2-(diethylamino)ethyl]-N,4-dimethyl-2-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide?
N-[2-(diethylamino)ethyl]-N,4-dimethyl-2-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 377.58 g/mol, XLogP of 4.25, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-N,4-dimethyl-2-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59338541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).