[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-pyridin-2-ylmethanone

C15H18N4OS — CID 110741653

IUPAC[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-pyridin-2-ylmethanone
SMILESCc1nc(N2CCN(C(=O)c3ccccn3)CC2)sc1C
InChIInChI=1S/C15H18N4OS/c1-11-12(2)21-15(17-11)19-9-7-18(8-10-19)14(20)13-5-3-4-6-16-13/h3-6H,7-10H2,1-2H3
InChIKeyQZOFEARHJBVBQC-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.12
Rot. Bonds2

About [4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-pyridin-2-ylmethanone

[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-pyridin-2-ylmethanone (PubChem CID 110741653) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is [4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-pyridin-2-ylmethanone
PubChem CID110741653
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-pyridin-2-ylmethanone
SMILESCc1nc(N2CCN(C(=O)c3ccccn3)CC2)sc1C
InChIInChI=1S/C15H18N4OS/c1-11-12(2)21-15(17-11)19-9-7-18(8-10-19)14(20)13-5-3-4-6-16-13/h3-6H,7-10H2,1-2H3
InChIKeyQZOFEARHJBVBQC-UHFFFAOYSA-N
XLogP2.12
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-pyrazin-2-ylmethanone
CID 110741654
[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 121082962
4,5-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole
CID 171335410
6-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-2-carboxylic acid
CID 122049016
[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-(1H-indol-3-yl)methanone
CID 138384229
[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 122340982
[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 110710958
[4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 30346280
[4-[5-(cyclopentylamino)-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 50825780
pyridin-2-yl-[4-(2,4,5-trimethylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110816030
(2-hydroxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 108534823
1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110710972

Frequently Asked Questions

What is the IUPAC name of [4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-pyridin-2-ylmethanone (CID 110741653) is [4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-pyridin-2-ylmethanone is Cc1nc(N2CCN(C(=O)c3ccccn3)CC2)sc1C.
What is the InChIKey of [4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is QZOFEARHJBVBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-11-12(2)21-15(17-11)19-9-7-18(8-10-19)14(20)13-5-3-4-6-16-13/h3-6H,7-10H2,1-2H3.
What are the key properties of [4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-pyridin-2-ylmethanone?
[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 302.40 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 110741653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).