methyl N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]thiophene-3-carbonyl]carbamate

C15H13N3O4S2 — CID 7158844

IUPACmethyl N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]thiophene-3-carbonyl]carbamate
SMILESCOC(=O)NC(=O)c1ccsc1Nc1nc2ccc(OC)cc2s1
InChIInChI=1S/C15H13N3O4S2/c1-21-8-3-4-10-11(7-8)24-14(16-10)18-13-9(5-6-23-13)12(19)17-15(20)22-2/h3-7H,1-2H3,(H,16,18)(H,17,19,20)
InChIKeyCNJBUOUKTQLZSM-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.61
Rot. Bonds4

About methyl N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]thiophene-3-carbonyl]carbamate

methyl N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]thiophene-3-carbonyl]carbamate (PubChem CID 7158844) has the molecular formula C15H13N3O4S2 and a molecular weight of 363.42 g/mol. Its IUPAC name is methyl N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]thiophene-3-carbonyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]thiophene-3-carbonyl]carbamate
PubChem CID7158844
Molecular FormulaC15H13N3O4S2
Molecular Weight363.42 g/mol
Exact Mass363.03
IUPAC Namemethyl N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]thiophene-3-carbonyl]carbamate
SMILESCOC(=O)NC(=O)c1ccsc1Nc1nc2ccc(OC)cc2s1
InChIInChI=1S/C15H13N3O4S2/c1-21-8-3-4-10-11(7-8)24-14(16-10)18-13-9(5-6-23-13)12(19)17-15(20)22-2/h3-7H,1-2H3,(H,16,18)(H,17,19,20)
InChIKeyCNJBUOUKTQLZSM-UHFFFAOYSA-N
XLogP3.61
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]thiophene-3-carbonyl]carbamate with MolForge

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Related Compounds

4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
methyl N-[2-[(2,4-dimethoxybenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7167041
1-(6-methoxy-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea
CID 20885064
ethyl 2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]thiophene-3-carboxylate
CID 43968623
2-(difluoromethoxy)-3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 112759261
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)benzamide
CID 3515602
methyl 3-[(6-methoxy-1,3-benzothiazol-2-yl)amino]propanoate
CID 79518052
2,6-dimethoxy-N'-(6-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105623
2,6-difluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 741712
6-methoxy-N-(2-methylphenyl)-1,3-benzothiazol-2-amine
CID 79018404
N-(2,6-dibromophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 107601400
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]thiophene-3-carbonyl]carbamate?
The IUPAC name of methyl N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]thiophene-3-carbonyl]carbamate (CID 7158844) is methyl N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]thiophene-3-carbonyl]carbamate.
What is the SMILES notation for methyl N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]thiophene-3-carbonyl]carbamate?
The canonical SMILES for methyl N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]thiophene-3-carbonyl]carbamate is COC(=O)NC(=O)c1ccsc1Nc1nc2ccc(OC)cc2s1.
What is the InChIKey of methyl N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]thiophene-3-carbonyl]carbamate?
The InChIKey is CNJBUOUKTQLZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4S2/c1-21-8-3-4-10-11(7-8)24-14(16-10)18-13-9(5-6-23-13)12(19)17-15(20)22-2/h3-7H,1-2H3,(H,16,18)(H,17,19,20).
What are the key properties of methyl N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]thiophene-3-carbonyl]carbamate?
methyl N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]thiophene-3-carbonyl]carbamate has a molecular weight of 363.42 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 7158844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).