2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-piperazin-1-ylpropanamide

C14H24N4OS — CID 103813479

IUPAC2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-piperazin-1-ylpropanamide
SMILESCc1nc(CCNC(=O)C(C)(C)N2CCNCC2)cs1
InChIInChI=1S/C14H24N4OS/c1-11-17-12(10-20-11)4-5-16-13(19)14(2,3)18-8-6-15-7-9-18/h10,15H,4-9H2,1-3H3,(H,16,19)
InChIKeyPSVIGIFHPHYGJM-UHFFFAOYSA-N
MW296.44 g/mol
LogP0.79
Rot. Bonds5

About 2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-piperazin-1-ylpropanamide

2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-piperazin-1-ylpropanamide (PubChem CID 103813479) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound Name2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-piperazin-1-ylpropanamide
PubChem CID103813479
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-piperazin-1-ylpropanamide
SMILESCc1nc(CCNC(=O)C(C)(C)N2CCNCC2)cs1
InChIInChI=1S/C14H24N4OS/c1-11-17-12(10-20-11)4-5-16-13(19)14(2,3)18-8-6-15-7-9-18/h10,15H,4-9H2,1-3H3,(H,16,19)
InChIKeyPSVIGIFHPHYGJM-UHFFFAOYSA-N
XLogP0.79
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
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2-(1,4-diazepan-1-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
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N-[2-(1H-imidazol-2-yl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide
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2-methyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole
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2,2-dimethyl-N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-piperazin-1-ylpropanamide?
The IUPAC name of 2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-piperazin-1-ylpropanamide (CID 103813479) is 2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-piperazin-1-ylpropanamide.
What is the SMILES notation for 2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-piperazin-1-ylpropanamide?
The canonical SMILES for 2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-piperazin-1-ylpropanamide is Cc1nc(CCNC(=O)C(C)(C)N2CCNCC2)cs1.
What is the InChIKey of 2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-piperazin-1-ylpropanamide?
The InChIKey is PSVIGIFHPHYGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-11-17-12(10-20-11)4-5-16-13(19)14(2,3)18-8-6-15-7-9-18/h10,15H,4-9H2,1-3H3,(H,16,19).
What are the key properties of 2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-piperazin-1-ylpropanamide?
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-piperazin-1-ylpropanamide has a molecular weight of 296.44 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 103813479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).