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

C14H17N5O3S — CID 44610231

IUPAC2-(carbamoylamino)-7-(2-methoxyethyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide
SMILESCOCCn1cc2c(n1)CCc1c-2sc(NC(N)=O)c1C(N)=O
InChIInChI=1S/C14H17N5O3S/c1-22-5-4-19-6-8-9(18-19)3-2-7-10(12(15)20)13(17-14(16)21)23-11(7)8/h6H,2-5H2,1H3,(H2,15,20)(H3,16,17,21)
InChIKeyYJJNBANRZSLOOR-UHFFFAOYSA-N
MW335.39 g/mol
LogP0.95
Rot. Bonds5

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

2-(carbamoylamino)-7-(2-methoxyethyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide (PubChem CID 44610231) has the molecular formula C14H17N5O3S and a molecular weight of 335.39 g/mol. Its IUPAC name is 2-(carbamoylamino)-7-(2-methoxyethyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-7-(2-methoxyethyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide
PubChem CID44610231
Molecular FormulaC14H17N5O3S
Molecular Weight335.39 g/mol
Exact Mass335.11
IUPAC Name2-(carbamoylamino)-7-(2-methoxyethyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide
SMILESCOCCn1cc2c(n1)CCc1c-2sc(NC(N)=O)c1C(N)=O
InChIInChI=1S/C14H17N5O3S/c1-22-5-4-19-6-8-9(18-19)3-2-7-10(12(15)20)13(17-14(16)21)23-11(7)8/h6H,2-5H2,1H3,(H2,15,20)(H3,16,17,21)
InChIKeyYJJNBANRZSLOOR-UHFFFAOYSA-N
XLogP0.95
TPSA125.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(carbamoylamino)-7-[(2,6-difluorophenyl)methyl]-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide
CID 44609457
2-(carbamoylamino)-7-(2-methylphenyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide
CID 44610229
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)-6,9-dimethoxy-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide
CID 10427786
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)-9-methoxy-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide
CID 10335967
2-(carbamoylamino)-9-chloro-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide
CID 10336215
ethyl 3-carbamoyl-2-[(3-methoxy-1-methylpyrazole-4-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 43993535
2-(carbamoylamino)-5,5,8-trimethyl-4H-benzo[g][1]benzothiole-3-carboxamide
CID 11724130
2-(2-methoxyethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
CID 142527806

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-7-(2-methoxyethyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-7-(2-methoxyethyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide (CID 44610231) is 2-(carbamoylamino)-7-(2-methoxyethyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-7-(2-methoxyethyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-7-(2-methoxyethyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide is COCCn1cc2c(n1)CCc1c-2sc(NC(N)=O)c1C(N)=O.
What is the InChIKey of 2-(carbamoylamino)-7-(2-methoxyethyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide?
The InChIKey is YJJNBANRZSLOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3S/c1-22-5-4-19-6-8-9(18-19)3-2-7-10(12(15)20)13(17-14(16)21)23-11(7)8/h6H,2-5H2,1H3,(H2,15,20)(H3,16,17,21).
What are the key properties of 2-(carbamoylamino)-7-(2-methoxyethyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide?
2-(carbamoylamino)-7-(2-methoxyethyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide has a molecular weight of 335.39 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-7-(2-methoxyethyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide is sourced from PubChem (CID 44610231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).