(3S)-3-methyl-3-propyl-4-(1,3-thiazole-4-carbonyl)piperazin-2-one

C12H17N3O2S — CID 99829095

IUPAC(3S)-3-methyl-3-propyl-4-(1,3-thiazole-4-carbonyl)piperazin-2-one
SMILESCCC[C@@]1(C)C(=O)NCCN1C(=O)c1cscn1
InChIInChI=1S/C12H17N3O2S/c1-3-4-12(2)11(17)13-5-6-15(12)10(16)9-7-18-8-14-9/h7-8H,3-6H2,1-2H3,(H,13,17)/t12-/m0/s1
InChIKeyPYRQXBVMJZNQIB-LBPRGKRZSA-N
MW267.35 g/mol
LogP1.27
Rot. Bonds3

About (3S)-3-methyl-3-propyl-4-(1,3-thiazole-4-carbonyl)piperazin-2-one

(3S)-3-methyl-3-propyl-4-(1,3-thiazole-4-carbonyl)piperazin-2-one (PubChem CID 99829095) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is (3S)-3-methyl-3-propyl-4-(1,3-thiazole-4-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name(3S)-3-methyl-3-propyl-4-(1,3-thiazole-4-carbonyl)piperazin-2-one
PubChem CID99829095
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name(3S)-3-methyl-3-propyl-4-(1,3-thiazole-4-carbonyl)piperazin-2-one
SMILESCCC[C@@]1(C)C(=O)NCCN1C(=O)c1cscn1
InChIInChI=1S/C12H17N3O2S/c1-3-4-12(2)11(17)13-5-6-15(12)10(16)9-7-18-8-14-9/h7-8H,3-6H2,1-2H3,(H,13,17)/t12-/m0/s1
InChIKeyPYRQXBVMJZNQIB-LBPRGKRZSA-N
XLogP1.27
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-{[(3s,5s)-5-(1,3-Thiazolidin-3-Ylcarbonyl)pyrrolidin-3-Yl]methyl}-1,3-Thiazole-4-Carboxamide
CID 11716843
N-[2-[1-(propylcarbamoylsulfamoyl)piperidin-4-yl]ethyl]-1,3-thiazole-4-carboxamide
CID 12281917
2-[(2-Propyl-1,3-thiazol-4-yl)carbonyl]-2,7-diazaspiro[4.5]decane
CID 56751947
1-(2-amino-2-oxoethyl)-N-({2-[(methylthio)methyl]-1,3-thiazol-4-yl}methyl)-3-piperidinecarboxamide
CID 70788417
N-[3-[[(2S)-1-[(2S)-2-[[3-[(3-amino-3-oxoprop-1-en-2-yl)amino]-3-oxoprop-1-en-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-oxoprop-1-en-2-yl]-1,3-thiazole-4-carboxamide
CID 90676928
2,9-Diazaspiro[4.5]decan-2-yl(1,3-thiazol-4-yl)methanone
CID 128924626
2-methyl-N-({2-[1-(3-methylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl}methyl)propanamide
CID 53149422
N-{[2-(1-butyryl-3-piperidyl)-1,3-thiazol-4-yl]methyl}-2-methylpropanamide
CID 53149435
N-cyclohexyl-1,3-thiazole-4-carboxamide
CID 62045802
N-cycloheptyl-1,3-thiazole-4-carboxamide
CID 62046160
[(4S)-4-methylazepan-1-yl]-(1,3-thiazol-4-yl)methanone
CID 96462663
N-[(3R)-6-oxopiperidin-3-yl]-1,3-thiazole-4-carboxamide
CID 96463062

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-3-propyl-4-(1,3-thiazole-4-carbonyl)piperazin-2-one?
The IUPAC name of (3S)-3-methyl-3-propyl-4-(1,3-thiazole-4-carbonyl)piperazin-2-one (CID 99829095) is (3S)-3-methyl-3-propyl-4-(1,3-thiazole-4-carbonyl)piperazin-2-one.
What is the SMILES notation for (3S)-3-methyl-3-propyl-4-(1,3-thiazole-4-carbonyl)piperazin-2-one?
The canonical SMILES for (3S)-3-methyl-3-propyl-4-(1,3-thiazole-4-carbonyl)piperazin-2-one is CCC[C@@]1(C)C(=O)NCCN1C(=O)c1cscn1.
What is the InChIKey of (3S)-3-methyl-3-propyl-4-(1,3-thiazole-4-carbonyl)piperazin-2-one?
The InChIKey is PYRQXBVMJZNQIB-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-3-4-12(2)11(17)13-5-6-15(12)10(16)9-7-18-8-14-9/h7-8H,3-6H2,1-2H3,(H,13,17)/t12-/m0/s1.
What are the key properties of (3S)-3-methyl-3-propyl-4-(1,3-thiazole-4-carbonyl)piperazin-2-one?
(3S)-3-methyl-3-propyl-4-(1,3-thiazole-4-carbonyl)piperazin-2-one has a molecular weight of 267.35 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-3-propyl-4-(1,3-thiazole-4-carbonyl)piperazin-2-one is sourced from PubChem (CID 99829095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).