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

C14H12Cl2N6OS — CID 162668787

IUPACN-(5-cyano-1,3-thiazol-2-yl)-4-(5,6-dichloro-3-pyridinyl)piperazine-1-carboxamide
SMILESN#Cc1cnc(NC(=O)N2CCN(c3cnc(Cl)c(Cl)c3)CC2)s1
InChIInChI=1S/C14H12Cl2N6OS/c15-11-5-9(7-18-12(11)16)21-1-3-22(4-2-21)14(23)20-13-19-8-10(6-17)24-13/h5,7-8H,1-4H2,(H,19,20,23)
InChIKeyYJLUYYQSTMUJIW-UHFFFAOYSA-N
MW383.26 g/mol
LogP3.07
Rot. Bonds2

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

N-(5-cyano-1,3-thiazol-2-yl)-4-(5,6-dichloro-3-pyridinyl)piperazine-1-carboxamide (PubChem CID 162668787) has the molecular formula C14H12Cl2N6OS and a molecular weight of 383.26 g/mol. Its IUPAC name is N-(5-cyano-1,3-thiazol-2-yl)-4-(5,6-dichloro-3-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-1,3-thiazol-2-yl)-4-(5,6-dichloro-3-pyridinyl)piperazine-1-carboxamide
PubChem CID162668787
Molecular FormulaC14H12Cl2N6OS
Molecular Weight383.26 g/mol
Exact Mass382.02
IUPAC NameN-(5-cyano-1,3-thiazol-2-yl)-4-(5,6-dichloro-3-pyridinyl)piperazine-1-carboxamide
SMILESN#Cc1cnc(NC(=O)N2CCN(c3cnc(Cl)c(Cl)c3)CC2)s1
InChIInChI=1S/C14H12Cl2N6OS/c15-11-5-9(7-18-12(11)16)21-1-3-22(4-2-21)14(23)20-13-19-8-10(6-17)24-13/h5,7-8H,1-4H2,(H,19,20,23)
InChIKeyYJLUYYQSTMUJIW-UHFFFAOYSA-N
XLogP3.07
TPSA85.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.26
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-1,3-thiazol-2-yl)-4-(5,6-dichloro-3-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of N-(5-cyano-1,3-thiazol-2-yl)-4-(5,6-dichloro-3-pyridinyl)piperazine-1-carboxamide (CID 162668787) is N-(5-cyano-1,3-thiazol-2-yl)-4-(5,6-dichloro-3-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(5-cyano-1,3-thiazol-2-yl)-4-(5,6-dichloro-3-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for N-(5-cyano-1,3-thiazol-2-yl)-4-(5,6-dichloro-3-pyridinyl)piperazine-1-carboxamide is N#Cc1cnc(NC(=O)N2CCN(c3cnc(Cl)c(Cl)c3)CC2)s1.
What is the InChIKey of N-(5-cyano-1,3-thiazol-2-yl)-4-(5,6-dichloro-3-pyridinyl)piperazine-1-carboxamide?
The InChIKey is YJLUYYQSTMUJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N6OS/c15-11-5-9(7-18-12(11)16)21-1-3-22(4-2-21)14(23)20-13-19-8-10(6-17)24-13/h5,7-8H,1-4H2,(H,19,20,23).
What are the key properties of N-(5-cyano-1,3-thiazol-2-yl)-4-(5,6-dichloro-3-pyridinyl)piperazine-1-carboxamide?
N-(5-cyano-1,3-thiazol-2-yl)-4-(5,6-dichloro-3-pyridinyl)piperazine-1-carboxamide has a molecular weight of 383.26 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-1,3-thiazol-2-yl)-4-(5,6-dichloro-3-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 162668787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).