N-(5-chloro-1,3-thiazol-2-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide

C14H13Cl3N4OS — CID 145420156

IUPACN-(5-chloro-1,3-thiazol-2-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ncc(Cl)s1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C14H13Cl3N4OS/c15-10-2-1-9(7-11(10)16)20-3-5-21(6-4-20)14(22)19-13-18-8-12(17)23-13/h1-2,7-8H,3-6H2,(H,18,19,22)
InChIKeyACNUMVJGUQFESE-UHFFFAOYSA-N
MW391.71 g/mol
LogP4.46
Rot. Bonds2

About N-(5-chloro-1,3-thiazol-2-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide

N-(5-chloro-1,3-thiazol-2-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide (PubChem CID 145420156) has the molecular formula C14H13Cl3N4OS and a molecular weight of 391.71 g/mol. Its IUPAC name is N-(5-chloro-1,3-thiazol-2-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-1,3-thiazol-2-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide
PubChem CID145420156
Molecular FormulaC14H13Cl3N4OS
Molecular Weight391.71 g/mol
Exact Mass389.99
IUPAC NameN-(5-chloro-1,3-thiazol-2-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ncc(Cl)s1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C14H13Cl3N4OS/c15-10-2-1-9(7-11(10)16)20-3-5-21(6-4-20)14(22)19-13-18-8-12(17)23-13/h1-2,7-8H,3-6H2,(H,18,19,22)
InChIKeyACNUMVJGUQFESE-UHFFFAOYSA-N
XLogP4.46
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.71
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Urea, N-(3-chlorophenyl)-N'-2-thiazolyl-
CID 178054
3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 603425
1-(3,4-Dichlorophenyl)-3-(1,3-thiazol-2-yl)urea
CID 722640
4-(3,4-dichlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 145420100
4-(5,6-dichloro-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 145420108
N-(5-cyano-1,3-thiazol-2-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 145420109
4-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 145420120
4-(4-chloro-3-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 145420130
4-(4-chloro-3-methylphenyl)-N-(5-chloro-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 145420137
4-(3-chloro-4-methylphenyl)-N-(5-chloro-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 145420154
2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]-3-methylpiperazin-1-yl]-N-(4-chlorophenyl)acetamide
CID 163368417
1-(4-Chloro-phenyl)-3-thiazol-2-yl-urea
CID 324932

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,3-thiazol-2-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-(5-chloro-1,3-thiazol-2-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide (CID 145420156) is N-(5-chloro-1,3-thiazol-2-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(5-chloro-1,3-thiazol-2-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(5-chloro-1,3-thiazol-2-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide is O=C(Nc1ncc(Cl)s1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of N-(5-chloro-1,3-thiazol-2-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide?
The InChIKey is ACNUMVJGUQFESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl3N4OS/c15-10-2-1-9(7-11(10)16)20-3-5-21(6-4-20)14(22)19-13-18-8-12(17)23-13/h1-2,7-8H,3-6H2,(H,18,19,22).
What are the key properties of N-(5-chloro-1,3-thiazol-2-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide?
N-(5-chloro-1,3-thiazol-2-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide has a molecular weight of 391.71 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1,3-thiazol-2-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 145420156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).