4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1,2-benzoxazepine

C14H11N3OS — CID 90907179

IUPAC4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1,2-benzoxazepine
SMILESC1=NOc2ccccc2C=C1C1=CSC2=NCCN12
InChIInChI=1S/C14H11N3OS/c1-2-4-13-10(3-1)7-11(8-16-18-13)12-9-19-14-15-5-6-17(12)14/h1-4,7-9H,5-6H2
InChIKeyRRBFAOFTDHTNQH-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.71
Rot. Bonds1

About 4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1,2-benzoxazepine

4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1,2-benzoxazepine (PubChem CID 90907179) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is 4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1,2-benzoxazepine.

Molecular Properties

Compound Name4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1,2-benzoxazepine
PubChem CID90907179
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC Name4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1,2-benzoxazepine
SMILESC1=NOc2ccccc2C=C1C1=CSC2=NCCN12
InChIInChI=1S/C14H11N3OS/c1-2-4-13-10(3-1)7-11(8-16-18-13)12-9-19-14-15-5-6-17(12)14/h1-4,7-9H,5-6H2
InChIKeyRRBFAOFTDHTNQH-UHFFFAOYSA-N
XLogP2.71
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)aniline
CID 11557582
3-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 683044
3-[3-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 98288892
5-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenyl]furan-2-carbaldehyde
CID 169336159
3-(2,4-dichlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide
CID 52997837
3-(2,5-dimethylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide
CID 6602926
3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a][1,3]diazepine;hydrobromide
CID 15563871
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)isoindole-1,3-dione
CID 3974566
3-(4-methylphenyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a][1,3]diazepine;hydrobromide
CID 18531494
3-(7-chloronaphthalen-1-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide
CID 68914957
N-[(2R)-4-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenyl]butan-2-yl]acetamide
CID 98260408
1-(1,2-benzoxazin-2-yl)-4,5-dihydroimidazol-2-amine
CID 18703632

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1,2-benzoxazepine?
The IUPAC name of 4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1,2-benzoxazepine (CID 90907179) is 4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1,2-benzoxazepine.
What is the SMILES notation for 4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1,2-benzoxazepine?
The canonical SMILES for 4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1,2-benzoxazepine is C1=NOc2ccccc2C=C1C1=CSC2=NCCN12.
What is the InChIKey of 4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1,2-benzoxazepine?
The InChIKey is RRBFAOFTDHTNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c1-2-4-13-10(3-1)7-11(8-16-18-13)12-9-19-14-15-5-6-17(12)14/h1-4,7-9H,5-6H2.
What are the key properties of 4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1,2-benzoxazepine?
4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1,2-benzoxazepine has a molecular weight of 269.33 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1,2-benzoxazepine is sourced from PubChem (CID 90907179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).