(2-cyclopropyl-4-methyl-1,3-thiazol-5-yl)-(4-methylpiperazin-1-yl)methanone

C13H19N3OS — CID 110694309

IUPAC(2-cyclopropyl-4-methyl-1,3-thiazol-5-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCc1nc(C2CC2)sc1C(=O)N1CCN(C)CC1
InChIInChI=1S/C13H19N3OS/c1-9-11(18-12(14-9)10-3-4-10)13(17)16-7-5-15(2)6-8-16/h10H,3-8H2,1-2H3
InChIKeyFFOGQFPFVAUQLH-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.72
Rot. Bonds2

About (2-cyclopropyl-4-methyl-1,3-thiazol-5-yl)-(4-methylpiperazin-1-yl)methanone

(2-cyclopropyl-4-methyl-1,3-thiazol-5-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 110694309) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is (2-cyclopropyl-4-methyl-1,3-thiazol-5-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-cyclopropyl-4-methyl-1,3-thiazol-5-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID110694309
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name(2-cyclopropyl-4-methyl-1,3-thiazol-5-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCc1nc(C2CC2)sc1C(=O)N1CCN(C)CC1
InChIInChI=1S/C13H19N3OS/c1-9-11(18-12(14-9)10-3-4-10)13(17)16-7-5-15(2)6-8-16/h10H,3-8H2,1-2H3
InChIKeyFFOGQFPFVAUQLH-UHFFFAOYSA-N
XLogP1.72
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-cyclopropyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 110694360
(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 111470063
(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 126776733
6-(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175023
2-cyclobutyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 64982497
[3-(aminomethyl)pyrrolidin-1-yl]-(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 119486828
(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(4-pyridin-2-yl-1,4-diazepan-1-yl)methanone
CID 126776097
(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124613261
2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 39403538
aziridin-1-yl-(2-chloro-4-methyl-1,3-thiazol-5-yl)methanone
CID 130629090
[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone
CID 110308244
cyclopropyl-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
CID 32890593

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyl-4-methyl-1,3-thiazol-5-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (2-cyclopropyl-4-methyl-1,3-thiazol-5-yl)-(4-methylpiperazin-1-yl)methanone (CID 110694309) is (2-cyclopropyl-4-methyl-1,3-thiazol-5-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-cyclopropyl-4-methyl-1,3-thiazol-5-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (2-cyclopropyl-4-methyl-1,3-thiazol-5-yl)-(4-methylpiperazin-1-yl)methanone is Cc1nc(C2CC2)sc1C(=O)N1CCN(C)CC1.
What is the InChIKey of (2-cyclopropyl-4-methyl-1,3-thiazol-5-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is FFOGQFPFVAUQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-9-11(18-12(14-9)10-3-4-10)13(17)16-7-5-15(2)6-8-16/h10H,3-8H2,1-2H3.
What are the key properties of (2-cyclopropyl-4-methyl-1,3-thiazol-5-yl)-(4-methylpiperazin-1-yl)methanone?
(2-cyclopropyl-4-methyl-1,3-thiazol-5-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 265.38 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyl-4-methyl-1,3-thiazol-5-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 110694309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).