2-(carbamoylamino)-6-methyl-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide

C15H15N3O2S — CID 10017745

IUPAC2-(carbamoylamino)-6-methyl-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide
SMILESCc1cccc2c1CCc1c-2sc(NC(N)=O)c1C(N)=O
InChIInChI=1S/C15H15N3O2S/c1-7-3-2-4-9-8(7)5-6-10-11(13(16)19)14(18-15(17)20)21-12(9)10/h2-4H,5-6H2,1H3,(H2,16,19)(H3,17,18,20)
InChIKeyTUKVNBBHTGNMDX-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.41
Rot. Bonds2

About 2-(carbamoylamino)-6-methyl-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide

2-(carbamoylamino)-6-methyl-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide (PubChem CID 10017745) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-(carbamoylamino)-6-methyl-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-6-methyl-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide
PubChem CID10017745
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name2-(carbamoylamino)-6-methyl-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide
SMILESCc1cccc2c1CCc1c-2sc(NC(N)=O)c1C(N)=O
InChIInChI=1S/C15H15N3O2S/c1-7-3-2-4-9-8(7)5-6-10-11(13(16)19)14(18-15(17)20)21-12(9)10/h2-4H,5-6H2,1H3,(H2,16,19)(H3,17,18,20)
InChIKeyTUKVNBBHTGNMDX-UHFFFAOYSA-N
XLogP2.41
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-2-(carbamoylamino)-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide
CID 10474054
2-(carbamoylamino)-7-(2-methylphenyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide
CID 44610229
2-(carbamoylamino)-9-chloro-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide
CID 10336215
2-(carbamoylamino)-9-methoxy-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide
CID 10335967
2-(carbamoylamino)-6,9-dimethoxy-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide
CID 10427786
2-(carbamoylamino)-7-(1-phenylethyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide
CID 53252913
2-(carbamoylamino)-7-[(2,6-difluorophenyl)methyl]-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide
CID 44609457
2-(carbamoylamino)-5,5,8-trimethyl-4H-benzo[g][1]benzothiole-3-carboxamide
CID 11724130
2-(carbamoylamino)-7-(2-chlorophenyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide
CID 44610387
2-(carbamoylamino)-6-cyclopentyl-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide
CID 53252732
(1R,2R,3S,4R)-3-[(3-carbamoyl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
CID 124716477
2-(carbamoylamino)-7-(2-methoxyethyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide
CID 44610231

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-6-methyl-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-6-methyl-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide (CID 10017745) is 2-(carbamoylamino)-6-methyl-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-6-methyl-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-6-methyl-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide is Cc1cccc2c1CCc1c-2sc(NC(N)=O)c1C(N)=O.
What is the InChIKey of 2-(carbamoylamino)-6-methyl-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide?
The InChIKey is TUKVNBBHTGNMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-7-3-2-4-9-8(7)5-6-10-11(13(16)19)14(18-15(17)20)21-12(9)10/h2-4H,5-6H2,1H3,(H2,16,19)(H3,17,18,20).
What are the key properties of 2-(carbamoylamino)-6-methyl-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide?
2-(carbamoylamino)-6-methyl-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 2.41, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-6-methyl-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide is sourced from PubChem (CID 10017745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).