3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-1-piperazin-1-ylpropan-1-one

C15H26N4OS — CID 120982996

IUPAC3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-1-piperazin-1-ylpropan-1-one
SMILESCCC(C)(NCCC(=O)N1CCNCC1)c1nc(C)cs1
InChIInChI=1S/C15H26N4OS/c1-4-15(3,14-18-12(2)11-21-14)17-6-5-13(20)19-9-7-16-8-10-19/h11,16-17H,4-10H2,1-3H3
InChIKeyWOZRAGRLLSSUCL-UHFFFAOYSA-N
MW310.47 g/mol
LogP1.49
Rot. Bonds6

About 3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-1-piperazin-1-ylpropan-1-one

3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-1-piperazin-1-ylpropan-1-one (PubChem CID 120982996) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is 3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-1-piperazin-1-ylpropan-1-one
PubChem CID120982996
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-1-piperazin-1-ylpropan-1-one
SMILESCCC(C)(NCCC(=O)N1CCNCC1)c1nc(C)cs1
InChIInChI=1S/C15H26N4OS/c1-4-15(3,14-18-12(2)11-21-14)17-6-5-13(20)19-9-7-16-8-10-19/h11,16-17H,4-10H2,1-3H3
InChIKeyWOZRAGRLLSSUCL-UHFFFAOYSA-N
XLogP1.49
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-1-piperazin-1-ylpropan-1-one with MolForge

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Related Compounds

3-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]propan-1-ol
CID 95903874
methyl 2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetate
CID 71986453
2,2,2-trifluoro-N-[3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]propyl]acetamide
CID 97095547
1-piperazin-1-yl-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-1-one
CID 120982990
4-[2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetyl]-1,3-dihydroquinoxalin-2-one
CID 167852626
N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119891994
2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]acetamide
CID 119892020
2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride
CID 119892019
2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119186173
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride
CID 119892013
2-[(4-ethyl-1,3-thiazol-2-yl)amino]-1-piperazin-1-ylethanone
CID 62961566
3-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982492

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-1-piperazin-1-ylpropan-1-one (CID 120982996) is 3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-1-piperazin-1-ylpropan-1-one is CCC(C)(NCCC(=O)N1CCNCC1)c1nc(C)cs1.
What is the InChIKey of 3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-1-piperazin-1-ylpropan-1-one?
The InChIKey is WOZRAGRLLSSUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-4-15(3,14-18-12(2)11-21-14)17-6-5-13(20)19-9-7-16-8-10-19/h11,16-17H,4-10H2,1-3H3.
What are the key properties of 3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-1-piperazin-1-ylpropan-1-one?
3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-1-piperazin-1-ylpropan-1-one has a molecular weight of 310.47 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 120982996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).