N-(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-indazol-7-amine

C15H14ClN3S — CID 82011040

IUPACN-(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-indazol-7-amine
SMILESClc1cc2c(s1)CCCC2Nc1cccc2cn[nH]c12
InChIInChI=1S/C15H14ClN3S/c16-14-7-10-11(4-2-6-13(10)20-14)18-12-5-1-3-9-8-17-19-15(9)12/h1,3,5,7-8,11,18H,2,4,6H2,(H,17,19)
InChIKeyBYBPXJYILIVXCG-UHFFFAOYSA-N
MW303.82 g/mol
LogP4.77
Rot. Bonds2

About N-(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-indazol-7-amine

N-(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-indazol-7-amine (PubChem CID 82011040) has the molecular formula C15H14ClN3S and a molecular weight of 303.82 g/mol. Its IUPAC name is N-(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-indazol-7-amine.

Molecular Properties

Compound NameN-(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-indazol-7-amine
PubChem CID82011040
Molecular FormulaC15H14ClN3S
Molecular Weight303.82 g/mol
Exact Mass303.06
IUPAC NameN-(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-indazol-7-amine
SMILESClc1cc2c(s1)CCCC2Nc1cccc2cn[nH]c12
InChIInChI=1S/C15H14ClN3S/c16-14-7-10-11(4-2-6-13(10)20-14)18-12-5-1-3-9-8-17-19-15(9)12/h1,3,5,7-8,11,18H,2,4,6H2,(H,17,19)
InChIKeyBYBPXJYILIVXCG-UHFFFAOYSA-N
XLogP4.77
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.82
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-indazol-7-amine with MolForge

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Related Compounds

N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1H-indazol-7-amine
CID 43788137
1-(1H-indazol-7-ylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682097
2-chloro-N-(2-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82686846
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1H-indazol-7-amine
CID 43731062
N-(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine
CID 82687532
2-chloro-N-(2,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82686284
2-chloro-N-(2,3-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252677
2-chloro-N-(4-chloro-2-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82686147
2-chloro-N-(2-chloro-5-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82689896
2-chloro-N-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82687709
2-chloro-N-(3,5-dichlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82686841
2-chloro-N-(2-iodophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252050

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-indazol-7-amine?
The IUPAC name of N-(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-indazol-7-amine (CID 82011040) is N-(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-indazol-7-amine.
What is the SMILES notation for N-(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-indazol-7-amine?
The canonical SMILES for N-(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-indazol-7-amine is Clc1cc2c(s1)CCCC2Nc1cccc2cn[nH]c12.
What is the InChIKey of N-(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-indazol-7-amine?
The InChIKey is BYBPXJYILIVXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3S/c16-14-7-10-11(4-2-6-13(10)20-14)18-12-5-1-3-9-8-17-19-15(9)12/h1,3,5,7-8,11,18H,2,4,6H2,(H,17,19).
What are the key properties of N-(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-indazol-7-amine?
N-(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-indazol-7-amine has a molecular weight of 303.82 g/mol, XLogP of 4.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-indazol-7-amine is sourced from PubChem (CID 82011040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).