(2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1-propan-2-ylpiperazine-2-carboxamide

C14H22N4O2S — CID 125020200

IUPAC(2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1-propan-2-ylpiperazine-2-carboxamide
SMILESCc1nc(CC(=O)N2CCN(C(C)C)[C@H](C(N)=O)C2)cs1
InChIInChI=1S/C14H22N4O2S/c1-9(2)18-5-4-17(7-12(18)14(15)20)13(19)6-11-8-21-10(3)16-11/h8-9,12H,4-7H2,1-3H3,(H2,15,20)/t12-/m0/s1
InChIKeyYBGMBGFSIKAAST-LBPRGKRZSA-N
MW310.42 g/mol
LogP0.40
Rot. Bonds4

About (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1-propan-2-ylpiperazine-2-carboxamide

(2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1-propan-2-ylpiperazine-2-carboxamide (PubChem CID 125020200) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1-propan-2-ylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1-propan-2-ylpiperazine-2-carboxamide
PubChem CID125020200
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name(2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1-propan-2-ylpiperazine-2-carboxamide
SMILESCc1nc(CC(=O)N2CCN(C(C)C)[C@H](C(N)=O)C2)cs1
InChIInChI=1S/C14H22N4O2S/c1-9(2)18-5-4-17(7-12(18)14(15)20)13(19)6-11-8-21-10(3)16-11/h8-9,12H,4-7H2,1-3H3,(H2,15,20)/t12-/m0/s1
InChIKeyYBGMBGFSIKAAST-LBPRGKRZSA-N
XLogP0.40
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6R)-1-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1,4-diazepane-6-carboxamide
CID 124943372
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 114680127
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 94180394
2-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 78803722
1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982484
3-cyclopentyl-1-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]propan-1-one
CID 134020946
(3R)-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxamide
CID 94111233
2-(2-methyl-1,3-thiazol-4-yl)-1-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95343040
1-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 96576936
2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(piperidine-1-carbonyl)morpholin-4-yl]ethanone
CID 92632934
1-[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 110113166
2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 30778210

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1-propan-2-ylpiperazine-2-carboxamide?
The IUPAC name of (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1-propan-2-ylpiperazine-2-carboxamide (CID 125020200) is (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1-propan-2-ylpiperazine-2-carboxamide.
What is the SMILES notation for (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1-propan-2-ylpiperazine-2-carboxamide?
The canonical SMILES for (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1-propan-2-ylpiperazine-2-carboxamide is Cc1nc(CC(=O)N2CCN(C(C)C)[C@H](C(N)=O)C2)cs1.
What is the InChIKey of (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1-propan-2-ylpiperazine-2-carboxamide?
The InChIKey is YBGMBGFSIKAAST-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-9(2)18-5-4-17(7-12(18)14(15)20)13(19)6-11-8-21-10(3)16-11/h8-9,12H,4-7H2,1-3H3,(H2,15,20)/t12-/m0/s1.
What are the key properties of (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1-propan-2-ylpiperazine-2-carboxamide?
(2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1-propan-2-ylpiperazine-2-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1-propan-2-ylpiperazine-2-carboxamide is sourced from PubChem (CID 125020200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).