(2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone

C13H22N4OS — CID 62793947

IUPAC(2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCc1nc(N)sc1C(=O)N1CCN(CC(C)C)CC1
InChIInChI=1S/C13H22N4OS/c1-9(2)8-16-4-6-17(7-5-16)12(18)11-10(3)15-13(14)19-11/h9H,4-8H2,1-3H3,(H2,14,15)
InChIKeyWOBXHIBVABUWDH-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.45
Rot. Bonds3

About (2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone

(2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone (PubChem CID 62793947) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is (2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
PubChem CID62793947
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name(2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCc1nc(N)sc1C(=O)N1CCN(CC(C)C)CC1
InChIInChI=1S/C13H22N4OS/c1-9(2)8-16-4-6-17(7-5-16)12(18)11-10(3)15-13(14)19-11/h9H,4-8H2,1-3H3,(H2,14,15)
InChIKeyWOBXHIBVABUWDH-UHFFFAOYSA-N
XLogP1.45
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone
CID 62792562
4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 62792932
(2-amino-4-methyl-1,3-thiazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone
CID 62793634
(2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 104872448
4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N-ethylpiperazine-1-carboxamide
CID 62793779
(5-amino-1,3,4-thiadiazol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 80616567
(2-amino-4-methyl-1,3-thiazol-5-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 62793622
1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63123482
(2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63979394
(2-amino-4-methyl-1,3-thiazol-5-yl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107219312
(2-amino-4-methyl-1,3-thiazol-5-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114409280
(2-amino-4-methyl-1,3-thiazol-5-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 94896080

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The IUPAC name of (2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone (CID 62793947) is (2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone is Cc1nc(N)sc1C(=O)N1CCN(CC(C)C)CC1.
What is the InChIKey of (2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The InChIKey is WOBXHIBVABUWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-9(2)8-16-4-6-17(7-5-16)12(18)11-10(3)15-13(14)19-11/h9H,4-8H2,1-3H3,(H2,14,15).
What are the key properties of (2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
(2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone has a molecular weight of 282.41 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 62793947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).