2-(3-chlorophenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methyl-1,3-thiazole-5-carboxamide

C19H20ClN3OS2 — CID 24640711

IUPAC2-(3-chlorophenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccc(Cl)c2)sc1C(=O)NCC(c1cccs1)N(C)C
InChIInChI=1S/C19H20ClN3OS2/c1-12-17(26-19(22-12)13-6-4-7-14(20)10-13)18(24)21-11-15(23(2)3)16-8-5-9-25-16/h4-10,15H,11H2,1-3H3,(H,21,24)
InChIKeyOBEJZOISILKKRW-UHFFFAOYSA-N
MW405.98 g/mol
LogP4.87
Rot. Bonds6

About 2-(3-chlorophenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methyl-1,3-thiazole-5-carboxamide

2-(3-chlorophenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 24640711) has the molecular formula C19H20ClN3OS2 and a molecular weight of 405.98 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID24640711
Molecular FormulaC19H20ClN3OS2
Molecular Weight405.98 g/mol
Exact Mass405.07
IUPAC Name2-(3-chlorophenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccc(Cl)c2)sc1C(=O)NCC(c1cccs1)N(C)C
InChIInChI=1S/C19H20ClN3OS2/c1-12-17(26-19(22-12)13-6-4-7-14(20)10-13)18(24)21-11-15(23(2)3)16-8-5-9-25-16/h4-10,15H,11H2,1-3H3,(H,21,24)
InChIKeyOBEJZOISILKKRW-UHFFFAOYSA-N
XLogP4.87
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.98
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55450452
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 93482434
methyl 3-[[2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-3-thiophen-2-ylpropanoate
CID 46515237
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 18161856
2-(3-chlorophenyl)-N,N-bis(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55439249
3-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-6-methyl-1-benzothiophene-2-carboxamide
CID 43843611
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4,6-dimethyl-2-pyridinyl)benzamide
CID 125159526
2-(3-chlorophenyl)-N,4-dimethyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,3-thiazole-5-carboxamide
CID 97259892
2-(3-chlorophenyl)-4-methyl-N-[3-(2-methylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide
CID 55609828
2-(3-chlorophenyl)-N-[4-(diethylcarbamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 27674957
2-(3-chlorophenyl)-4-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 38123393
2-(3-chlorophenyl)-N-(2,6-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 60599394

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 24640711) is 2-(3-chlorophenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NCC(c1cccs1)N(C)C.
What is the InChIKey of 2-(3-chlorophenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is OBEJZOISILKKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3OS2/c1-12-17(26-19(22-12)13-6-4-7-14(20)10-13)18(24)21-11-15(23(2)3)16-8-5-9-25-16/h4-10,15H,11H2,1-3H3,(H,21,24).
What are the key properties of 2-(3-chlorophenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-(3-chlorophenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 405.98 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24640711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).