N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-[(dimethylamino)methyl]-1,3-thiazole-4-carboxamide

C16H19ClN4O2S — CID 74234317

IUPACN-[2-[(2-chlorobenzoyl)amino]ethyl]-2-[(dimethylamino)methyl]-1,3-thiazole-4-carboxamide
SMILESCN(C)Cc1nc(C(=O)NCCNC(=O)c2ccccc2Cl)cs1
InChIInChI=1S/C16H19ClN4O2S/c1-21(2)9-14-20-13(10-24-14)16(23)19-8-7-18-15(22)11-5-3-4-6-12(11)17/h3-6,10H,7-9H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyTXNXFNGESNWLTR-UHFFFAOYSA-N
MW366.87 g/mol
LogP2.02
Rot. Bonds7

About N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-[(dimethylamino)methyl]-1,3-thiazole-4-carboxamide

N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-[(dimethylamino)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 74234317) has the molecular formula C16H19ClN4O2S and a molecular weight of 366.87 g/mol. Its IUPAC name is N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-[(dimethylamino)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-chlorobenzoyl)amino]ethyl]-2-[(dimethylamino)methyl]-1,3-thiazole-4-carboxamide
PubChem CID74234317
Molecular FormulaC16H19ClN4O2S
Molecular Weight366.87 g/mol
Exact Mass366.09
IUPAC NameN-[2-[(2-chlorobenzoyl)amino]ethyl]-2-[(dimethylamino)methyl]-1,3-thiazole-4-carboxamide
SMILESCN(C)Cc1nc(C(=O)NCCNC(=O)c2ccccc2Cl)cs1
InChIInChI=1S/C16H19ClN4O2S/c1-21(2)9-14-20-13(10-24-14)16(23)19-8-7-18-15(22)11-5-3-4-6-12(11)17/h3-6,10H,7-9H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyTXNXFNGESNWLTR-UHFFFAOYSA-N
XLogP2.02
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
CID 110441971
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methylpyrimidine-4-carboxamide
CID 47049468
N-(3-methoxypropyl)-2-[[3-methoxypropyl-(2-methylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxamide
CID 4991608
2-chloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 110359527
2-[(2,6-dichlorophenyl)methyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 59768274
2-(aminomethyl)-N-[3-[benzyl(methyl)amino]propyl]-1,3-thiazole-4-carboxamide
CID 119835673
2-[[2-[[(2-chlorobenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide
CID 42788487
2-chloro-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]benzamide
CID 110870261
2-(aminomethyl)-N-[2-(dimethylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 83109262
N-butyl-2-[[butyl-(2,4-dichlorobenzoyl)amino]methyl]-1,3-thiazole-4-carboxamide
CID 4587471
N-[2-[(2-fluorobenzoyl)amino]ethyl]-2-[(2-methoxyphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46106073
2-[[(2,4-dichlorobenzoyl)-methylamino]methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 1196047

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-[(dimethylamino)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-[(dimethylamino)methyl]-1,3-thiazole-4-carboxamide (CID 74234317) is N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-[(dimethylamino)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-[(dimethylamino)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-[(dimethylamino)methyl]-1,3-thiazole-4-carboxamide is CN(C)Cc1nc(C(=O)NCCNC(=O)c2ccccc2Cl)cs1.
What is the InChIKey of N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-[(dimethylamino)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is TXNXFNGESNWLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2S/c1-21(2)9-14-20-13(10-24-14)16(23)19-8-7-18-15(22)11-5-3-4-6-12(11)17/h3-6,10H,7-9H2,1-2H3,(H,18,22)(H,19,23).
What are the key properties of N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-[(dimethylamino)methyl]-1,3-thiazole-4-carboxamide?
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-[(dimethylamino)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 366.87 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-[(dimethylamino)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 74234317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).