6-N-[1-(5-chlorothiophen-2-yl)ethyl]-1H-indazole-5,6-diamine

C13H13ClN4S — CID 107489383

IUPAC6-N-[1-(5-chlorothiophen-2-yl)ethyl]-1H-indazole-5,6-diamine
SMILESCC(Nc1cc2[nH]ncc2cc1N)c1ccc(Cl)s1
InChIInChI=1S/C13H13ClN4S/c1-7(12-2-3-13(14)19-12)17-11-5-10-8(4-9(11)15)6-16-18-10/h2-7,17H,15H2,1H3,(H,16,18)
InChIKeyGXEKZOOYFUUBRN-UHFFFAOYSA-N
MW292.80 g/mol
LogP4.03
Rot. Bonds3

About 6-N-[1-(5-chlorothiophen-2-yl)ethyl]-1H-indazole-5,6-diamine

6-N-[1-(5-chlorothiophen-2-yl)ethyl]-1H-indazole-5,6-diamine (PubChem CID 107489383) has the molecular formula C13H13ClN4S and a molecular weight of 292.80 g/mol. Its IUPAC name is 6-N-[1-(5-chlorothiophen-2-yl)ethyl]-1H-indazole-5,6-diamine.

Molecular Properties

Compound Name6-N-[1-(5-chlorothiophen-2-yl)ethyl]-1H-indazole-5,6-diamine
PubChem CID107489383
Molecular FormulaC13H13ClN4S
Molecular Weight292.80 g/mol
Exact Mass292.05
IUPAC Name6-N-[1-(5-chlorothiophen-2-yl)ethyl]-1H-indazole-5,6-diamine
SMILESCC(Nc1cc2[nH]ncc2cc1N)c1ccc(Cl)s1
InChIInChI=1S/C13H13ClN4S/c1-7(12-2-3-13(14)19-12)17-11-5-10-8(4-9(11)15)6-16-18-10/h2-7,17H,15H2,1H3,(H,16,18)
InChIKeyGXEKZOOYFUUBRN-UHFFFAOYSA-N
XLogP4.03
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.80
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-N-[1-(5-chlorothiophen-2-yl)ethyl]-1H-indazole-5,6-diamine 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

N-[1-(5-chlorothiophen-2-yl)ethyl]-1H-indazol-6-amine
CID 43743466
6-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-indazole-5,6-diamine
CID 107489454
6-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indazole-5,6-diamine
CID 114159574
6-amino-5-[1-(5-chlorothiophen-2-yl)ethylamino]-3H-1,3-benzoxazol-2-one
CID 115425325
4-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-3,4-diamine
CID 61469011
2-[(5-amino-1H-indazol-6-yl)amino]-N-tert-butylpropanamide
CID 107490904
6-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-indazole-5,6-diamine
CID 107489402
N-[1-(5-chlorothiophen-2-yl)ethyl]-5-nitro-1H-pyrazol-4-amine
CID 54954319
6-N-tert-butyl-1H-indazole-5,6-diamine
CID 107488480
methyl 2-[(5-amino-1H-indazol-6-yl)amino]-3-methylbutanoate
CID 107489722
3-amino-4-[1-(5-chlorothiophen-2-yl)ethylamino]benzonitrile
CID 54955056
1-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-methylsulfonylbenzene-1,2-diamine
CID 61468882

Frequently Asked Questions

What is the IUPAC name of 6-N-[1-(5-chlorothiophen-2-yl)ethyl]-1H-indazole-5,6-diamine?
The IUPAC name of 6-N-[1-(5-chlorothiophen-2-yl)ethyl]-1H-indazole-5,6-diamine (CID 107489383) is 6-N-[1-(5-chlorothiophen-2-yl)ethyl]-1H-indazole-5,6-diamine.
What is the SMILES notation for 6-N-[1-(5-chlorothiophen-2-yl)ethyl]-1H-indazole-5,6-diamine?
The canonical SMILES for 6-N-[1-(5-chlorothiophen-2-yl)ethyl]-1H-indazole-5,6-diamine is CC(Nc1cc2[nH]ncc2cc1N)c1ccc(Cl)s1.
What is the InChIKey of 6-N-[1-(5-chlorothiophen-2-yl)ethyl]-1H-indazole-5,6-diamine?
The InChIKey is GXEKZOOYFUUBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4S/c1-7(12-2-3-13(14)19-12)17-11-5-10-8(4-9(11)15)6-16-18-10/h2-7,17H,15H2,1H3,(H,16,18).
What are the key properties of 6-N-[1-(5-chlorothiophen-2-yl)ethyl]-1H-indazole-5,6-diamine?
6-N-[1-(5-chlorothiophen-2-yl)ethyl]-1H-indazole-5,6-diamine has a molecular weight of 292.80 g/mol, XLogP of 4.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[1-(5-chlorothiophen-2-yl)ethyl]-1H-indazole-5,6-diamine is sourced from PubChem (CID 107489383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).