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

C17H14ClN5O2S — CID 44610387

IUPAC2-(carbamoylamino)-7-(2-chlorophenyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide
SMILESNC(=O)Nc1sc2c(c1C(N)=O)CCc1nn(-c3ccccc3Cl)cc1-2
InChIInChI=1S/C17H14ClN5O2S/c18-10-3-1-2-4-12(10)23-7-9-11(22-23)6-5-8-13(15(19)24)16(21-17(20)25)26-14(8)9/h1-4,7H,5-6H2,(H2,19,24)(H3,20,21,25)
InChIKeyFQCFSCSQUZMZNU-UHFFFAOYSA-N
MW387.85 g/mol
LogP2.94
Rot. Bonds3

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

2-(carbamoylamino)-7-(2-chlorophenyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide (PubChem CID 44610387) has the molecular formula C17H14ClN5O2S and a molecular weight of 387.85 g/mol. Its IUPAC name is 2-(carbamoylamino)-7-(2-chlorophenyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-7-(2-chlorophenyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide
PubChem CID44610387
Molecular FormulaC17H14ClN5O2S
Molecular Weight387.85 g/mol
Exact Mass387.06
IUPAC Name2-(carbamoylamino)-7-(2-chlorophenyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide
SMILESNC(=O)Nc1sc2c(c1C(N)=O)CCc1nn(-c3ccccc3Cl)cc1-2
InChIInChI=1S/C17H14ClN5O2S/c18-10-3-1-2-4-12(10)23-7-9-11(22-23)6-5-8-13(15(19)24)16(21-17(20)25)26-14(8)9/h1-4,7H,5-6H2,(H2,19,24)(H3,20,21,25)
InChIKeyFQCFSCSQUZMZNU-UHFFFAOYSA-N
XLogP2.94
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.85
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-7-(2-chlorophenyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-7-(2-chlorophenyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide (CID 44610387) is 2-(carbamoylamino)-7-(2-chlorophenyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-7-(2-chlorophenyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-7-(2-chlorophenyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide is NC(=O)Nc1sc2c(c1C(N)=O)CCc1nn(-c3ccccc3Cl)cc1-2.
What is the InChIKey of 2-(carbamoylamino)-7-(2-chlorophenyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide?
The InChIKey is FQCFSCSQUZMZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O2S/c18-10-3-1-2-4-12(10)23-7-9-11(22-23)6-5-8-13(15(19)24)16(21-17(20)25)26-14(8)9/h1-4,7H,5-6H2,(H2,19,24)(H3,20,21,25).
What are the key properties of 2-(carbamoylamino)-7-(2-chlorophenyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide?
2-(carbamoylamino)-7-(2-chlorophenyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide has a molecular weight of 387.85 g/mol, XLogP of 2.94, 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-chlorophenyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide is sourced from PubChem (CID 44610387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).