2-[(3,4-dichlorobenzoyl)amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide

C17H18Cl2N4O2S — CID 46113767

IUPAC2-[(3,4-dichlorobenzoyl)amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nc(C(=O)NCCN2CCCC2)cs1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H18Cl2N4O2S/c18-12-4-3-11(9-13(12)19)15(24)22-17-21-14(10-26-17)16(25)20-5-8-23-6-1-2-7-23/h3-4,9-10H,1-2,5-8H2,(H,20,25)(H,21,22,24)
InChIKeyKLGDYLIOUIGCOD-UHFFFAOYSA-N
MW413.33 g/mol
LogP3.53
Rot. Bonds6

About 2-[(3,4-dichlorobenzoyl)amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide

2-[(3,4-dichlorobenzoyl)amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 46113767) has the molecular formula C17H18Cl2N4O2S and a molecular weight of 413.33 g/mol. Its IUPAC name is 2-[(3,4-dichlorobenzoyl)amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(3,4-dichlorobenzoyl)amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide
PubChem CID46113767
Molecular FormulaC17H18Cl2N4O2S
Molecular Weight413.33 g/mol
Exact Mass412.05
IUPAC Name2-[(3,4-dichlorobenzoyl)amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nc(C(=O)NCCN2CCCC2)cs1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H18Cl2N4O2S/c18-12-4-3-11(9-13(12)19)15(24)22-17-21-14(10-26-17)16(25)20-5-8-23-6-1-2-7-23/h3-4,9-10H,1-2,5-8H2,(H,20,25)(H,21,22,24)
InChIKeyKLGDYLIOUIGCOD-UHFFFAOYSA-N
XLogP3.53
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.33
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,4-dichlorobenzoyl)amino]-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 46113825
N-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
CID 46113813
2-(1,3-benzodioxole-5-carbonylamino)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide
CID 46113996
2-[(3,4-dimethoxybenzoyl)amino]-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 19611220
3,4-dichloro-N-[4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide
CID 46113810
N-butan-2-yl-2-[(3,4-dichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 46113759
2-[(3,4-dichlorobenzoyl)amino]-N,N-dimethyl-1,3-thiazole-4-carboxamide
CID 46113781
3-chloro-4-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 103734735
3,4-dichloro-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 46113807
3,4-dichloro-N-[3-[4-[3-[(3,4-dichlorobenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 3672547
2-[(4-chlorobenzoyl)amino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 16915123
2-[(4-methoxybenzoyl)amino]-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide
CID 84555624

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorobenzoyl)amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(3,4-dichlorobenzoyl)amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide (CID 46113767) is 2-[(3,4-dichlorobenzoyl)amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(3,4-dichlorobenzoyl)amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(3,4-dichlorobenzoyl)amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide is O=C(Nc1nc(C(=O)NCCN2CCCC2)cs1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(3,4-dichlorobenzoyl)amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is KLGDYLIOUIGCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O2S/c18-12-4-3-11(9-13(12)19)15(24)22-17-21-14(10-26-17)16(25)20-5-8-23-6-1-2-7-23/h3-4,9-10H,1-2,5-8H2,(H,20,25)(H,21,22,24).
What are the key properties of 2-[(3,4-dichlorobenzoyl)amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide?
2-[(3,4-dichlorobenzoyl)amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 413.33 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorobenzoyl)amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46113767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).