2-(4-methylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide

C12H20N4OS — CID 3229459

IUPAC2-(4-methylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cnc(NC(=O)C(C)N2CCN(C)CC2)s1
InChIInChI=1S/C12H20N4OS/c1-9-8-13-12(18-9)14-11(17)10(2)16-6-4-15(3)5-7-16/h8,10H,4-7H2,1-3H3,(H,13,14,17)
InChIKeyBNLWTFGRGNIIEA-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.03
Rot. Bonds3

About 2-(4-methylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide

2-(4-methylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 3229459) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID3229459
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name2-(4-methylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cnc(NC(=O)C(C)N2CCN(C)CC2)s1
InChIInChI=1S/C12H20N4OS/c1-9-8-13-12(18-9)14-11(17)10(2)16-6-4-15(3)5-7-16/h8,10H,4-7H2,1-3H3,(H,13,14,17)
InChIKeyBNLWTFGRGNIIEA-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-(5-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide (CID 3229459) is 2-(4-methylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide is Cc1cnc(NC(=O)C(C)N2CCN(C)CC2)s1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is BNLWTFGRGNIIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-9-8-13-12(18-9)14-11(17)10(2)16-6-4-15(3)5-7-16/h8,10H,4-7H2,1-3H3,(H,13,14,17).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
2-(4-methylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide 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-(5-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 3229459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).