2-(propan-2-ylamino)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone

C12H20N4OS — CID 60841085

IUPAC2-(propan-2-ylamino)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
SMILESCC(C)NCC(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C12H20N4OS/c1-10(2)14-9-11(17)15-4-6-16(7-5-15)12-13-3-8-18-12/h3,8,10,14H,4-7,9H2,1-2H3
InChIKeyVDJWFPGZBGDBMR-UHFFFAOYSA-N
MW268.39 g/mol
LogP0.79
Rot. Bonds4

About 2-(propan-2-ylamino)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone

2-(propan-2-ylamino)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone (PubChem CID 60841085) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(propan-2-ylamino)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
PubChem CID60841085
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name2-(propan-2-ylamino)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
SMILESCC(C)NCC(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C12H20N4OS/c1-10(2)14-9-11(17)15-4-6-16(7-5-15)12-13-3-8-18-12/h3,8,10,14H,4-7,9H2,1-2H3
InChIKeyVDJWFPGZBGDBMR-UHFFFAOYSA-N
XLogP0.79
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one
CID 158048076
2-ethoxy-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 60708282
3,3-dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one
CID 70866199
2-amino-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]ethanone
CID 83634826
4,4-dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentan-1-one
CID 71146511
4-(methylamino)-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]butan-1-one
CID 119863940
N-[1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]acetamide
CID 24645578
ethyl 2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]acetate
CID 43445563
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone
CID 18138931
2-amino-4-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentan-1-one
CID 24708603
2-methyl-N-propan-2-yl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine
CID 62425655
(2S)-3-hydroxy-2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]propanoic acid
CID 61185673

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(propan-2-ylamino)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone (CID 60841085) is 2-(propan-2-ylamino)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(propan-2-ylamino)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(propan-2-ylamino)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone is CC(C)NCC(=O)N1CCN(c2nccs2)CC1.
What is the InChIKey of 2-(propan-2-ylamino)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
The InChIKey is VDJWFPGZBGDBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-10(2)14-9-11(17)15-4-6-16(7-5-15)12-13-3-8-18-12/h3,8,10,14H,4-7,9H2,1-2H3.
What are the key properties of 2-(propan-2-ylamino)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
2-(propan-2-ylamino)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone has a molecular weight of 268.39 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 60841085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).