4-(3-chloro-4-methylphenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-methylpiperazine-1-carboxamide

C16H18Cl2N4OS — CID 162662550

IUPAC4-(3-chloro-4-methylphenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-methylpiperazine-1-carboxamide
SMILESCc1ccc(N2CCN(C(=O)Nc3ncc(Cl)s3)CC2C)cc1Cl
InChIInChI=1S/C16H18Cl2N4OS/c1-10-3-4-12(7-13(10)17)22-6-5-21(9-11(22)2)16(23)20-15-19-8-14(18)24-15/h3-4,7-8,11H,5-6,9H2,1-2H3,(H,19,20,23)
InChIKeyQVNWYEKOGNFLJK-UHFFFAOYSA-N
MW385.32 g/mol
LogP4.50
Rot. Bonds2

About 4-(3-chloro-4-methylphenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-methylpiperazine-1-carboxamide

4-(3-chloro-4-methylphenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-methylpiperazine-1-carboxamide (PubChem CID 162662550) has the molecular formula C16H18Cl2N4OS and a molecular weight of 385.32 g/mol. Its IUPAC name is 4-(3-chloro-4-methylphenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-4-methylphenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-methylpiperazine-1-carboxamide
PubChem CID162662550
Molecular FormulaC16H18Cl2N4OS
Molecular Weight385.32 g/mol
Exact Mass384.06
IUPAC Name4-(3-chloro-4-methylphenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-methylpiperazine-1-carboxamide
SMILESCc1ccc(N2CCN(C(=O)Nc3ncc(Cl)s3)CC2C)cc1Cl
InChIInChI=1S/C16H18Cl2N4OS/c1-10-3-4-12(7-13(10)17)22-6-5-21(9-11(22)2)16(23)20-15-19-8-14(18)24-15/h3-4,7-8,11H,5-6,9H2,1-2H3,(H,19,20,23)
InChIKeyQVNWYEKOGNFLJK-UHFFFAOYSA-N
XLogP4.50
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.32
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methylphenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-methylpiperazine-1-carboxamide?
The IUPAC name of 4-(3-chloro-4-methylphenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-methylpiperazine-1-carboxamide (CID 162662550) is 4-(3-chloro-4-methylphenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-methylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chloro-4-methylphenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-methylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3-chloro-4-methylphenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-methylpiperazine-1-carboxamide is Cc1ccc(N2CCN(C(=O)Nc3ncc(Cl)s3)CC2C)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methylphenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-methylpiperazine-1-carboxamide?
The InChIKey is QVNWYEKOGNFLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4OS/c1-10-3-4-12(7-13(10)17)22-6-5-21(9-11(22)2)16(23)20-15-19-8-14(18)24-15/h3-4,7-8,11H,5-6,9H2,1-2H3,(H,19,20,23).
What are the key properties of 4-(3-chloro-4-methylphenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-methylpiperazine-1-carboxamide?
4-(3-chloro-4-methylphenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-methylpiperazine-1-carboxamide has a molecular weight of 385.32 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methylphenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-methylpiperazine-1-carboxamide is sourced from PubChem (CID 162662550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).