5-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1H-indole-2-carboxamide

C15H14N4OS — CID 62057299

IUPAC5-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1H-indole-2-carboxamide
SMILESNc1ccc2[nH]c(C(=O)Nc3nc4c(s3)CCC4)cc2c1
InChIInChI=1S/C15H14N4OS/c16-9-4-5-10-8(6-9)7-12(17-10)14(20)19-15-18-11-2-1-3-13(11)21-15/h4-7,17H,1-3,16H2,(H,18,19,20)
InChIKeyBPGFPBIHFIJBPL-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.95
Rot. Bonds2

About 5-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1H-indole-2-carboxamide

5-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1H-indole-2-carboxamide (PubChem CID 62057299) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 5-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1H-indole-2-carboxamide
PubChem CID62057299
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name5-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1H-indole-2-carboxamide
SMILESNc1ccc2[nH]c(C(=O)Nc3nc4c(s3)CCC4)cc2c1
InChIInChI=1S/C15H14N4OS/c16-9-4-5-10-8(6-9)7-12(17-10)14(20)19-15-18-11-2-1-3-13(11)21-15/h4-7,17H,1-3,16H2,(H,18,19,20)
InChIKeyBPGFPBIHFIJBPL-UHFFFAOYSA-N
XLogP2.95
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1H-pyrrole-2-carboxamide
CID 54962823
5-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide
CID 115597844
5-amino-2-methyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 120619567
5-amino-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-methylbenzamide;hydrochloride
CID 120624908
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 5140427
2-(4-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methylpropanamide
CID 80555214
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 38493209
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998755
4-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 3595429
5-amino-N-methyl-1H-indole-2-carboxamide
CID 63117746
5-amino-N-(4-fluorophenyl)-1H-indole-2-carboxamide
CID 62058585
1-(4-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)cyclopropane-1-carboxamide
CID 115913571

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1H-indole-2-carboxamide?
The IUPAC name of 5-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1H-indole-2-carboxamide (CID 62057299) is 5-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1H-indole-2-carboxamide is Nc1ccc2[nH]c(C(=O)Nc3nc4c(s3)CCC4)cc2c1.
What is the InChIKey of 5-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1H-indole-2-carboxamide?
The InChIKey is BPGFPBIHFIJBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c16-9-4-5-10-8(6-9)7-12(17-10)14(20)19-15-18-11-2-1-3-13(11)21-15/h4-7,17H,1-3,16H2,(H,18,19,20).
What are the key properties of 5-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1H-indole-2-carboxamide?
5-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1H-indole-2-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 2.95, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 62057299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).