2-[[(5-chloro-1-methylpyrazole-4-carbonyl)amino]methyl]-N-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide

C18H17Cl2N5O2S — CID 91408257

IUPAC2-[[(5-chloro-1-methylpyrazole-4-carbonyl)amino]methyl]-N-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCn1ncc(C(=O)NCc2nc(C(=O)NCCc3cccc(Cl)c3)cs2)c1Cl
InChIInChI=1S/C18H17Cl2N5O2S/c1-25-16(20)13(8-23-25)17(26)22-9-15-24-14(10-28-15)18(27)21-6-5-11-3-2-4-12(19)7-11/h2-4,7-8,10H,5-6,9H2,1H3,(H,21,27)(H,22,26)
InChIKeyZPIOSRDXWKSANU-UHFFFAOYSA-N
MW438.34 g/mol
LogP3.09
Rot. Bonds7

About 2-[[(5-chloro-1-methylpyrazole-4-carbonyl)amino]methyl]-N-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide

2-[[(5-chloro-1-methylpyrazole-4-carbonyl)amino]methyl]-N-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 91408257) has the molecular formula C18H17Cl2N5O2S and a molecular weight of 438.34 g/mol. Its IUPAC name is 2-[[(5-chloro-1-methylpyrazole-4-carbonyl)amino]methyl]-N-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[[(5-chloro-1-methylpyrazole-4-carbonyl)amino]methyl]-N-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID91408257
Molecular FormulaC18H17Cl2N5O2S
Molecular Weight438.34 g/mol
Exact Mass437.05
IUPAC Name2-[[(5-chloro-1-methylpyrazole-4-carbonyl)amino]methyl]-N-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCn1ncc(C(=O)NCc2nc(C(=O)NCCc3cccc(Cl)c3)cs2)c1Cl
InChIInChI=1S/C18H17Cl2N5O2S/c1-25-16(20)13(8-23-25)17(26)22-9-15-24-14(10-28-15)18(27)21-6-5-11-3-2-4-12(19)7-11/h2-4,7-8,10H,5-6,9H2,1H3,(H,21,27)(H,22,26)
InChIKeyZPIOSRDXWKSANU-UHFFFAOYSA-N
XLogP3.09
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.34
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443636
N-[2-(3-chlorophenyl)ethyl]-2-[[[2-(4-iodophenoxy)acetyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 11563067
2-(1-aminobutyl)-N-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 3832974
N-[2-(3-chlorophenyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 110856224
5-chloro-1-methyl-N-(3-phenylpropyl)pyrazole-4-carboxamide
CID 68674787
1-(3-chlorophenyl)-N-[2-(3-chlorophenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46642923
N-[2-(3-chlorophenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 3842964
2-(aminomethyl)-N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119798217
N-[2-(3-chlorophenyl)ethyl]-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide
CID 3803357
N-[2-(3-chlorophenyl)ethyl]-1-methylindole-4-carboxamide
CID 112529597
2-[(2,6-dichlorophenyl)methyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 59768274
2-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 873795

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-chloro-1-methylpyrazole-4-carbonyl)amino]methyl]-N-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[[(5-chloro-1-methylpyrazole-4-carbonyl)amino]methyl]-N-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide (CID 91408257) is 2-[[(5-chloro-1-methylpyrazole-4-carbonyl)amino]methyl]-N-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[[(5-chloro-1-methylpyrazole-4-carbonyl)amino]methyl]-N-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[[(5-chloro-1-methylpyrazole-4-carbonyl)amino]methyl]-N-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide is Cn1ncc(C(=O)NCc2nc(C(=O)NCCc3cccc(Cl)c3)cs2)c1Cl.
What is the InChIKey of 2-[[(5-chloro-1-methylpyrazole-4-carbonyl)amino]methyl]-N-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is ZPIOSRDXWKSANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N5O2S/c1-25-16(20)13(8-23-25)17(26)22-9-15-24-14(10-28-15)18(27)21-6-5-11-3-2-4-12(19)7-11/h2-4,7-8,10H,5-6,9H2,1H3,(H,21,27)(H,22,26).
What are the key properties of 2-[[(5-chloro-1-methylpyrazole-4-carbonyl)amino]methyl]-N-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide?
2-[[(5-chloro-1-methylpyrazole-4-carbonyl)amino]methyl]-N-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 438.34 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-chloro-1-methylpyrazole-4-carbonyl)amino]methyl]-N-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 91408257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).