methyl N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazol-2-yl)carbamate

C11H12N2O2S2 — CID 548126

IUPACmethyl N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazol-2-yl)carbamate
SMILESCOC(=O)Nc1nc2sc3c(c2s1)CCCC3
InChIInChI=1S/C11H12N2O2S2/c1-15-11(14)13-10-12-9-8(17-10)6-4-2-3-5-7(6)16-9/h2-5H2,1H3,(H,12,13,14)
InChIKeyFNDWDUCTBZVVTD-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.41
Rot. Bonds1

About methyl N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazol-2-yl)carbamate

methyl N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazol-2-yl)carbamate (PubChem CID 548126) has the molecular formula C11H12N2O2S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is methyl N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazol-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazol-2-yl)carbamate
PubChem CID548126
Molecular FormulaC11H12N2O2S2
Molecular Weight268.36 g/mol
Exact Mass268.03
IUPAC Namemethyl N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazol-2-yl)carbamate
SMILESCOC(=O)Nc1nc2sc3c(c2s1)CCCC3
InChIInChI=1S/C11H12N2O2S2/c1-15-11(14)13-10-12-9-8(17-10)6-4-2-3-5-7(6)16-9/h2-5H2,1H3,(H,12,13,14)
InChIKeyFNDWDUCTBZVVTD-UHFFFAOYSA-N
XLogP3.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazol-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

N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazol-2-yl)acetamide
CID 3997003
methyl N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)carbamate
CID 115571632
methyl N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamate
CID 2932152
ethyl 2-(methoxycarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 720189
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 930096
methyl 2-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 59887387
methyl 2-[4-(4-chloro-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)cyclohexyl]acetate
CID 18378842
methyl 2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)acetate
CID 23824989
(2S)-N-(4-methoxyphenyl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)propanamide
CID 1093548
4-methoxy-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 717679
methyl 2-[(6-chloropyridine-3-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 52598426
N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-methoxyacetamide
CID 47379488

Frequently Asked Questions

What is the IUPAC name of methyl N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazol-2-yl)carbamate?
The IUPAC name of methyl N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazol-2-yl)carbamate (CID 548126) is methyl N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazol-2-yl)carbamate.
What is the SMILES notation for methyl N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazol-2-yl)carbamate?
The canonical SMILES for methyl N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazol-2-yl)carbamate is COC(=O)Nc1nc2sc3c(c2s1)CCCC3.
What is the InChIKey of methyl N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazol-2-yl)carbamate?
The InChIKey is FNDWDUCTBZVVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S2/c1-15-11(14)13-10-12-9-8(17-10)6-4-2-3-5-7(6)16-9/h2-5H2,1H3,(H,12,13,14).
What are the key properties of methyl N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazol-2-yl)carbamate?
methyl N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazol-2-yl)carbamate has a molecular weight of 268.36 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazol-2-yl)carbamate is sourced from PubChem (CID 548126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).