3-chloro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazin-2-one

C10H10ClN3OS — CID 114561487

IUPAC3-chloro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazin-2-one
SMILESCc1ncsc1CCn1ccnc(Cl)c1=O
InChIInChI=1S/C10H10ClN3OS/c1-7-8(16-6-13-7)2-4-14-5-3-12-9(11)10(14)15/h3,5-6H,2,4H2,1H3
InChIKeyRTRWCJPWOXXBDE-UHFFFAOYSA-N
MW255.73 g/mol
LogP1.90
Rot. Bonds3

About 3-chloro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazin-2-one

3-chloro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazin-2-one (PubChem CID 114561487) has the molecular formula C10H10ClN3OS and a molecular weight of 255.73 g/mol. Its IUPAC name is 3-chloro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazin-2-one.

Molecular Properties

Compound Name3-chloro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazin-2-one
PubChem CID114561487
Molecular FormulaC10H10ClN3OS
Molecular Weight255.73 g/mol
Exact Mass255.02
IUPAC Name3-chloro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazin-2-one
SMILESCc1ncsc1CCn1ccnc(Cl)c1=O
InChIInChI=1S/C10H10ClN3OS/c1-7-8(16-6-13-7)2-4-14-5-3-12-9(11)10(14)15/h3,5-6H,2,4H2,1H3
InChIKeyRTRWCJPWOXXBDE-UHFFFAOYSA-N
XLogP1.90
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-6-chloro-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-4-one
CID 114583715
4-methyl-5-(2-pyrrol-1-ylethyl)-1,3-thiazole
CID 63812266
3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-propylpyrimidine-2,4-dione
CID 55239012
1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-3-chloropyrazin-2-one
CID 114561588
3-chloro-1-pent-4-ynylpyrazin-2-one
CID 114561564
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2,4-dione
CID 130881330
3-chloro-1-[2-(3-methylbutoxy)ethyl]pyrazin-2-one
CID 114561680
4-(3-chloro-2-oxopyrazin-1-yl)-N-methylbutanamide
CID 114561776
5-chloro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2,3-dione
CID 62071339
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
2-(4-methyl-1,3-thiazol-5-yl)ethanethiol
CID 18690003
5-(2-iodoethyl)-4-methyl-1,3-thiazole
CID 3031968

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazin-2-one?
The IUPAC name of 3-chloro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazin-2-one (CID 114561487) is 3-chloro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazin-2-one.
What is the SMILES notation for 3-chloro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazin-2-one?
The canonical SMILES for 3-chloro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazin-2-one is Cc1ncsc1CCn1ccnc(Cl)c1=O.
What is the InChIKey of 3-chloro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazin-2-one?
The InChIKey is RTRWCJPWOXXBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3OS/c1-7-8(16-6-13-7)2-4-14-5-3-12-9(11)10(14)15/h3,5-6H,2,4H2,1H3.
What are the key properties of 3-chloro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazin-2-one?
3-chloro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazin-2-one has a molecular weight of 255.73 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazin-2-one is sourced from PubChem (CID 114561487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).