2-(carbamoylamino)-7-(2-methylphenyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide

C18H17N5O2S — CID 44610229

IUPAC2-(carbamoylamino)-7-(2-methylphenyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide
SMILESCc1ccccc1-n1cc2c(n1)CCc1c-2sc(NC(N)=O)c1C(N)=O
InChIInChI=1S/C18H17N5O2S/c1-9-4-2-3-5-13(9)23-8-11-12(22-23)7-6-10-14(16(19)24)17(21-18(20)25)26-15(10)11/h2-5,8H,6-7H2,1H3,(H2,19,24)(H3,20,21,25)
InChIKeyAPSCDKOIGGRLHV-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.60
Rot. Bonds3

About 2-(carbamoylamino)-7-(2-methylphenyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide

2-(carbamoylamino)-7-(2-methylphenyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide (PubChem CID 44610229) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-(carbamoylamino)-7-(2-methylphenyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-7-(2-methylphenyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide
PubChem CID44610229
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC Name2-(carbamoylamino)-7-(2-methylphenyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide
SMILESCc1ccccc1-n1cc2c(n1)CCc1c-2sc(NC(N)=O)c1C(N)=O
InChIInChI=1S/C18H17N5O2S/c1-9-4-2-3-5-13(9)23-8-11-12(22-23)7-6-10-14(16(19)24)17(21-18(20)25)26-15(10)11/h2-5,8H,6-7H2,1H3,(H2,19,24)(H3,20,21,25)
InChIKeyAPSCDKOIGGRLHV-UHFFFAOYSA-N
XLogP2.60
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(carbamoylamino)-7-(2-methylphenyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide 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

2-(carbamoylamino)-7-(2-chlorophenyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide
CID 44610387
2-(carbamoylamino)-7-(1-phenylethyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide
CID 53252913
2-(carbamoylamino)-6-methyl-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide
CID 10017745
2-(carbamoylamino)-7-(2-methoxyethyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide
CID 44610231
2-(carbamoylamino)-7-[(2,6-difluorophenyl)methyl]-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide
CID 44609457
6-bromo-2-(carbamoylamino)-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide
CID 10474054
2-(carbamoylamino)-6-cyclopentyl-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide
CID 53252732
2-(carbamoylamino)-6,9-dimethoxy-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide
CID 10427786
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
3-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 91675755
2-(carbamoylamino)-5,5,8-trimethyl-4H-benzo[g][1]benzothiole-3-carboxamide
CID 11724130

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-7-(2-methylphenyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-7-(2-methylphenyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide (CID 44610229) is 2-(carbamoylamino)-7-(2-methylphenyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-7-(2-methylphenyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-7-(2-methylphenyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide is Cc1ccccc1-n1cc2c(n1)CCc1c-2sc(NC(N)=O)c1C(N)=O.
What is the InChIKey of 2-(carbamoylamino)-7-(2-methylphenyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide?
The InChIKey is APSCDKOIGGRLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-9-4-2-3-5-13(9)23-8-11-12(22-23)7-6-10-14(16(19)24)17(21-18(20)25)26-15(10)11/h2-5,8H,6-7H2,1H3,(H2,19,24)(H3,20,21,25).
What are the key properties of 2-(carbamoylamino)-7-(2-methylphenyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide?
2-(carbamoylamino)-7-(2-methylphenyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 2.60, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-7-(2-methylphenyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide is sourced from PubChem (CID 44610229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).