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

C14H15Cl2N5OS — CID 145420108

IUPAC4-(5,6-dichloro-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCc1cnc(NC(=O)N2CCN(c3cnc(Cl)c(Cl)c3)CC2)s1
InChIInChI=1S/C14H15Cl2N5OS/c1-9-7-18-13(23-9)19-14(22)21-4-2-20(3-5-21)10-6-11(15)12(16)17-8-10/h6-8H,2-5H2,1H3,(H,18,19,22)
InChIKeyRFKCEPJTXZSYPR-UHFFFAOYSA-N
MW372.28 g/mol
LogP3.51
Rot. Bonds2

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

4-(5,6-dichloro-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide (PubChem CID 145420108) has the molecular formula C14H15Cl2N5OS and a molecular weight of 372.28 g/mol. Its IUPAC name is 4-(5,6-dichloro-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5,6-dichloro-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
PubChem CID145420108
Molecular FormulaC14H15Cl2N5OS
Molecular Weight372.28 g/mol
Exact Mass371.04
IUPAC Name4-(5,6-dichloro-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCc1cnc(NC(=O)N2CCN(c3cnc(Cl)c(Cl)c3)CC2)s1
InChIInChI=1S/C14H15Cl2N5OS/c1-9-7-18-13(23-9)19-14(22)21-4-2-20(3-5-21)10-6-11(15)12(16)17-8-10/h6-8H,2-5H2,1H3,(H,18,19,22)
InChIKeyRFKCEPJTXZSYPR-UHFFFAOYSA-N
XLogP3.51
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.28
LogP ≤ 53.51
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
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
HIV-1 inhibitor-35
CID 162644158
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 4-(5,6-dichloro-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(5,6-dichloro-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide (CID 145420108) is 4-(5,6-dichloro-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(5,6-dichloro-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(5,6-dichloro-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide is Cc1cnc(NC(=O)N2CCN(c3cnc(Cl)c(Cl)c3)CC2)s1.
What is the InChIKey of 4-(5,6-dichloro-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is RFKCEPJTXZSYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N5OS/c1-9-7-18-13(23-9)19-14(22)21-4-2-20(3-5-21)10-6-11(15)12(16)17-8-10/h6-8H,2-5H2,1H3,(H,18,19,22).
What are the key properties of 4-(5,6-dichloro-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
4-(5,6-dichloro-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 372.28 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dichloro-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 145420108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).