2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one

C12H12N2OS2 — CID 64975834

IUPAC2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESCc1nc(Cc2nc3c(s2)CCCC3=O)cs1
InChIInChI=1S/C12H12N2OS2/c1-7-13-8(6-16-7)5-11-14-12-9(15)3-2-4-10(12)17-11/h6H,2-5H2,1H3
InChIKeySQJJGRQDOGKJBQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.02
Rot. Bonds2

About 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one

2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one (PubChem CID 64975834) has the molecular formula C12H12N2OS2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one.

Molecular Properties

Compound Name2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one
PubChem CID64975834
Molecular FormulaC12H12N2OS2
Molecular Weight264.37 g/mol
Exact Mass264.04
IUPAC Name2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESCc1nc(Cc2nc3c(s2)CCCC3=O)cs1
InChIInChI=1S/C12H12N2OS2/c1-7-13-8(6-16-7)5-11-14-12-9(15)3-2-4-10(12)17-11/h6H,2-5H2,1H3
InChIKeySQJJGRQDOGKJBQ-UHFFFAOYSA-N
XLogP3.02
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one with MolForge

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Related Compounds

2-(tert-butylsulfanylmethyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 65132694
4-(4-chlorophenyl)-5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole
CID 52580545
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carbaldehyde
CID 62800362
N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114365476
2-(5-methylfuran-2-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64975790
4-ethyl-2-methyl-1,3-thiazole;hydrochloride
CID 141419064
10-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-11-propyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
CID 7876927
2-(3-ethylcyclopentyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 65405379
N-[[4-ethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104841888
1-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclobutan-1-ol
CID 115621582
N-[[4-tert-butyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 114362663
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine;hydrate;dihydrochloride
CID 74892089

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one (CID 64975834) is 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one.
What is the SMILES notation for 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The canonical SMILES for 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one is Cc1nc(Cc2nc3c(s2)CCCC3=O)cs1.
What is the InChIKey of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The InChIKey is SQJJGRQDOGKJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS2/c1-7-13-8(6-16-7)5-11-14-12-9(15)3-2-4-10(12)17-11/h6H,2-5H2,1H3.
What are the key properties of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one?
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one has a molecular weight of 264.37 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one is sourced from PubChem (CID 64975834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).