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

C14H17N5OS — CID 110741654

IUPAC[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-pyrazin-2-ylmethanone
SMILESCc1nc(N2CCN(C(=O)c3cnccn3)CC2)sc1C
InChIInChI=1S/C14H17N5OS/c1-10-11(2)21-14(17-10)19-7-5-18(6-8-19)13(20)12-9-15-3-4-16-12/h3-4,9H,5-8H2,1-2H3
InChIKeyBNVXFCUJQJTKJK-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.51
Rot. Bonds2

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

[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 110741654) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is [4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-pyrazin-2-ylmethanone
PubChem CID110741654
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-pyrazin-2-ylmethanone
SMILESCc1nc(N2CCN(C(=O)c3cnccn3)CC2)sc1C
InChIInChI=1S/C14H17N5OS/c1-10-11(2)21-14(17-10)19-7-5-18(6-8-19)13(20)12-9-15-3-4-16-12/h3-4,9H,5-8H2,1-2H3
InChIKeyBNVXFCUJQJTKJK-UHFFFAOYSA-N
XLogP1.51
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 110741653
[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-pyrazin-2-ylmethanone
CID 43983088
[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]-(2,4,5-trimethylphenyl)methanone
CID 110816131
[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 110710958
2-chloro-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one
CID 108569993
[(2S,3aS,7aS)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyrazin-2-ylmethanone
CID 97369716
[4-(azetidin-3-yl)piperazin-1-yl]-pyrazin-2-ylmethanone
CID 66203494
[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-pyrazin-2-ylmethanone
CID 108731282
pyrazin-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 108741613
(1,1-dioxo-1,4-thiazinan-4-yl)-pyrazin-2-ylmethanone
CID 110743459
(6-chloropyrazin-2-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 103186918
[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-(1H-indol-3-yl)methanone
CID 138384229

Frequently Asked Questions

What is the IUPAC name of [4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-pyrazin-2-ylmethanone (CID 110741654) is [4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-pyrazin-2-ylmethanone is Cc1nc(N2CCN(C(=O)c3cnccn3)CC2)sc1C.
What is the InChIKey of [4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is BNVXFCUJQJTKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-10-11(2)21-14(17-10)19-7-5-18(6-8-19)13(20)12-9-15-3-4-16-12/h3-4,9H,5-8H2,1-2H3.
What are the key properties of [4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-pyrazin-2-ylmethanone?
[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 303.39 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 110741654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).