2-(4-methylpiperazin-1-yl)-N-propan-2-yl-1,3-thiazole-4-carboxamide

C12H20N4OS — CID 53014664

IUPAC2-(4-methylpiperazin-1-yl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1csc(N2CCN(C)CC2)n1
InChIInChI=1S/C12H20N4OS/c1-9(2)13-11(17)10-8-18-12(14-10)16-6-4-15(3)5-7-16/h8-9H,4-7H2,1-3H3,(H,13,17)
InChIKeyFYPAPBXCYBJRCO-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.03
Rot. Bonds3

About 2-(4-methylpiperazin-1-yl)-N-propan-2-yl-1,3-thiazole-4-carboxamide

2-(4-methylpiperazin-1-yl)-N-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 53014664) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID53014664
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name2-(4-methylpiperazin-1-yl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1csc(N2CCN(C)CC2)n1
InChIInChI=1S/C12H20N4OS/c1-9(2)13-11(17)10-8-18-12(14-10)16-6-4-15(3)5-7-16/h8-9H,4-7H2,1-3H3,(H,13,17)
InChIKeyFYPAPBXCYBJRCO-UHFFFAOYSA-N
XLogP1.03
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-propan-2-yl-1,3-thiazole-4-carboxamide (CID 53014664) is 2-(4-methylpiperazin-1-yl)-N-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-propan-2-yl-1,3-thiazole-4-carboxamide is CC(C)NC(=O)c1csc(N2CCN(C)CC2)n1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is FYPAPBXCYBJRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-9(2)13-11(17)10-8-18-12(14-10)16-6-4-15(3)5-7-16/h8-9H,4-7H2,1-3H3,(H,13,17).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-propan-2-yl-1,3-thiazole-4-carboxamide?
2-(4-methylpiperazin-1-yl)-N-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 268.39 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53014664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).