2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide

C16H20N4OS — CID 50952783

IUPAC2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(CN2CCN(c3nc(C(N)=O)cs3)CC2)cc1
InChIInChI=1S/C16H20N4OS/c1-12-2-4-13(5-3-12)10-19-6-8-20(9-7-19)16-18-14(11-22-16)15(17)21/h2-5,11H,6-10H2,1H3,(H2,17,21)
InChIKeyLFIQXQSYVMFCJF-UHFFFAOYSA-N
MW316.43 g/mol
LogP1.87
Rot. Bonds4

About 2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide

2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide (PubChem CID 50952783) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide
PubChem CID50952783
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(CN2CCN(c3nc(C(N)=O)cs3)CC2)cc1
InChIInChI=1S/C16H20N4OS/c1-12-2-4-13(5-3-12)10-19-6-8-20(9-7-19)16-18-14(11-22-16)15(17)21/h2-5,11H,6-10H2,1H3,(H2,17,21)
InChIKeyLFIQXQSYVMFCJF-UHFFFAOYSA-N
XLogP1.87
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide (CID 50952783) is 2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide is Cc1ccc(CN2CCN(c3nc(C(N)=O)cs3)CC2)cc1.
What is the InChIKey of 2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is LFIQXQSYVMFCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-12-2-4-13(5-3-12)10-19-6-8-20(9-7-19)16-18-14(11-22-16)15(17)21/h2-5,11H,6-10H2,1H3,(H2,17,21).
What are the key properties of 2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide?
2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 50952783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).