phenyl N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamate

C14H14N2O2S — CID 735089

IUPACphenyl N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamate
SMILESO=C(Nc1nc2c(s1)CCCC2)Oc1ccccc1
InChIInChI=1S/C14H14N2O2S/c17-14(18-10-6-2-1-3-7-10)16-13-15-11-8-4-5-9-12(11)19-13/h1-3,6-7H,4-5,8-9H2,(H,15,16,17)
InChIKeyMMBDCOQGOCIYOU-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.63
Rot. Bonds2

About phenyl N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamate

phenyl N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamate (PubChem CID 735089) has the molecular formula C14H14N2O2S and a molecular weight of 274.34 g/mol. Its IUPAC name is phenyl N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamate
PubChem CID735089
Molecular FormulaC14H14N2O2S
Molecular Weight274.34 g/mol
Exact Mass274.08
IUPAC Namephenyl N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamate
SMILESO=C(Nc1nc2c(s1)CCCC2)Oc1ccccc1
InChIInChI=1S/C14H14N2O2S/c17-14(18-10-6-2-1-3-7-10)16-13-15-11-8-4-5-9-12(11)19-13/h1-3,6-7H,4-5,8-9H2,(H,15,16,17)
InChIKeyMMBDCOQGOCIYOU-UHFFFAOYSA-N
XLogP3.63
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze phenyl N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenyl N-(6-fluoro-1,3-benzothiazol-2-yl)carbamate
CID 7131529
1-(4-Methoxyphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea
CID 741732
4-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 2059073
2-phenoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 2306436
2-(4-methoxyphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 2388124
2-(4-fluorophenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 7948483
phenyl N-(6-methoxy-1,3-benzothiazol-2-yl)carbamate
CID 731161
Phenyl 1,3-benzothiazol-2-ylcarbamate
CID 13101074
3-((4-methoxyphenyl)thio)-N-(4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)propanamide
CID 18586290
Phenyl (5-acetyl-4-methyl-1,3-thiazol-2-yl)carbamate
CID 22259036
Phenyl (5-chloro-4-methylthiazol-2-yl)carbamate
CID 57656858
Phenyl [4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate
CID 57469782

Frequently Asked Questions

What is the IUPAC name of phenyl N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamate?
The IUPAC name of phenyl N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamate (CID 735089) is phenyl N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamate.
What is the SMILES notation for phenyl N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamate?
The canonical SMILES for phenyl N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamate is O=C(Nc1nc2c(s1)CCCC2)Oc1ccccc1.
What is the InChIKey of phenyl N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamate?
The InChIKey is MMBDCOQGOCIYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c17-14(18-10-6-2-1-3-7-10)16-13-15-11-8-4-5-9-12(11)19-13/h1-3,6-7H,4-5,8-9H2,(H,15,16,17).
What are the key properties of phenyl N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamate?
phenyl N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamate has a molecular weight of 274.34 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamate is sourced from PubChem (CID 735089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).