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

C11H18N4OS — CID 550743

IUPAC3-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCN1CCN(CCC(=O)Nc2nccs2)CC1
InChIInChI=1S/C11H18N4OS/c1-14-5-7-15(8-6-14)4-2-10(16)13-11-12-3-9-17-11/h3,9H,2,4-8H2,1H3,(H,12,13,16)
InChIKeyPQSQMEOKRXUPDA-UHFFFAOYSA-N
MW254.36 g/mol
LogP0.72
Rot. Bonds4

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

3-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 550743) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID550743
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name3-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCN1CCN(CCC(=O)Nc2nccs2)CC1
InChIInChI=1S/C11H18N4OS/c1-14-5-7-15(8-6-14)4-2-10(16)13-11-12-3-9-17-11/h3,9H,2,4-8H2,1H3,(H,12,13,16)
InChIKeyPQSQMEOKRXUPDA-UHFFFAOYSA-N
XLogP0.72
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Propanamide, 3-(4-methyl-1-piperidyl)-N-(2-thiazolyl)-
CID 574554
2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide
CID 2834959
2-(4-methylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 2976467
1-[2-Oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-4-carboxamide
CID 6462725
2-(4-Acetylamino-piperidin-1-yl)-N-thiazol-2-yl-acetamide
CID 3220976
2-methyl-N-(1,3-thiazol-2-yl)butanamide
CID 3140495
N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 18072276
2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 135473895
Propanamide, 3-(1-pyrrolidinyl)-N-(2-thiazolyl)-
CID 558586
2-(Dimethylamino)-N-2-thiazolylacetamide
CID 12562481
N-(1,3-Thiazol-2-yl)propanamide
CID 247650
2-(Piperazin-1-yl)-N-(1,3-thiazol-2-yl)acetamide--hydrogen chloride (1/2)
CID 44119132

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide (CID 550743) is 3-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide is CN1CCN(CCC(=O)Nc2nccs2)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is PQSQMEOKRXUPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-14-5-7-15(8-6-14)4-2-10(16)13-11-12-3-9-17-11/h3,9H,2,4-8H2,1H3,(H,12,13,16).
What are the key properties of 3-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
3-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 254.36 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 550743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).