N-(5-chloro-1,3-thiazol-2-yl)-4-(5,6-dichloro-3-pyridinyl)piperazine-1-carboxamide

C13H12Cl3N5OS — CID 162644158

IUPACN-(5-chloro-1,3-thiazol-2-yl)-4-(5,6-dichloro-3-pyridinyl)piperazine-1-carboxamide
SMILESO=C(Nc1ncc(Cl)s1)N1CCN(c2cnc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C13H12Cl3N5OS/c14-9-5-8(6-17-11(9)16)20-1-3-21(4-2-20)13(22)19-12-18-7-10(15)23-12/h5-7H,1-4H2,(H,18,19,22)
InChIKeyRBHIWEJLJQXJSA-UHFFFAOYSA-N
MW392.70 g/mol
LogP3.85
Rot. Bonds2

About N-(5-chloro-1,3-thiazol-2-yl)-4-(5,6-dichloro-3-pyridinyl)piperazine-1-carboxamide

N-(5-chloro-1,3-thiazol-2-yl)-4-(5,6-dichloro-3-pyridinyl)piperazine-1-carboxamide (PubChem CID 162644158) has the molecular formula C13H12Cl3N5OS and a molecular weight of 392.70 g/mol. Its IUPAC name is N-(5-chloro-1,3-thiazol-2-yl)-4-(5,6-dichloro-3-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-1,3-thiazol-2-yl)-4-(5,6-dichloro-3-pyridinyl)piperazine-1-carboxamide
PubChem CID162644158
Molecular FormulaC13H12Cl3N5OS
Molecular Weight392.70 g/mol
Exact Mass390.98
IUPAC NameN-(5-chloro-1,3-thiazol-2-yl)-4-(5,6-dichloro-3-pyridinyl)piperazine-1-carboxamide
SMILESO=C(Nc1ncc(Cl)s1)N1CCN(c2cnc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C13H12Cl3N5OS/c14-9-5-8(6-17-11(9)16)20-1-3-21(4-2-20)13(22)19-12-18-7-10(15)23-12/h5-7H,1-4H2,(H,18,19,22)
InChIKeyRBHIWEJLJQXJSA-UHFFFAOYSA-N
XLogP3.85
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.70
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

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
N-(5-chloro-1,3-thiazol-2-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 145420156
N-(5-chloro-1,3-thiazol-2-yl)-4-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 162643128
4-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 162644305
4-(4-chlorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 162665276
N-(5-cyano-1,3-thiazol-2-yl)-4-(5,6-dichloro-3-pyridinyl)piperazine-1-carboxamide
CID 162668787
4-(5,6-dichloro-3-pyridinyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
CID 162675465
N-(5-chloro-1,3-thiazol-2-yl)-4-(6-cyano-5-methyl-3-pyridinyl)piperazine-1-carboxamide
CID 162675967
Guanidine, N-(2-chloro-3-pyridinyl)-N'-(1,1-dimethylethyl)-N''-2-thiazolyl-
CID 3055129
4-(4-chlorophenyl)-N-(5-cyano-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 162643185

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,3-thiazol-2-yl)-4-(5,6-dichloro-3-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of N-(5-chloro-1,3-thiazol-2-yl)-4-(5,6-dichloro-3-pyridinyl)piperazine-1-carboxamide (CID 162644158) is N-(5-chloro-1,3-thiazol-2-yl)-4-(5,6-dichloro-3-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(5-chloro-1,3-thiazol-2-yl)-4-(5,6-dichloro-3-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for N-(5-chloro-1,3-thiazol-2-yl)-4-(5,6-dichloro-3-pyridinyl)piperazine-1-carboxamide is O=C(Nc1ncc(Cl)s1)N1CCN(c2cnc(Cl)c(Cl)c2)CC1.
What is the InChIKey of N-(5-chloro-1,3-thiazol-2-yl)-4-(5,6-dichloro-3-pyridinyl)piperazine-1-carboxamide?
The InChIKey is RBHIWEJLJQXJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl3N5OS/c14-9-5-8(6-17-11(9)16)20-1-3-21(4-2-20)13(22)19-12-18-7-10(15)23-12/h5-7H,1-4H2,(H,18,19,22).
What are the key properties of N-(5-chloro-1,3-thiazol-2-yl)-4-(5,6-dichloro-3-pyridinyl)piperazine-1-carboxamide?
N-(5-chloro-1,3-thiazol-2-yl)-4-(5,6-dichloro-3-pyridinyl)piperazine-1-carboxamide has a molecular weight of 392.70 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1,3-thiazol-2-yl)-4-(5,6-dichloro-3-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 162644158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).