6-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-indazole-5,6-diamine

C15H18N4S — CID 107489454

IUPAC6-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-indazole-5,6-diamine
SMILESCc1cc(C(C)Nc2cc3[nH]ncc3cc2N)c(C)s1
InChIInChI=1S/C15H18N4S/c1-8-4-12(10(3)20-8)9(2)18-15-6-14-11(5-13(15)16)7-17-19-14/h4-7,9,18H,16H2,1-3H3,(H,17,19)
InChIKeyZHSBKWDHHUNCSF-UHFFFAOYSA-N
MW286.40 g/mol
LogP4.00
Rot. Bonds3

About 6-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-indazole-5,6-diamine

6-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-indazole-5,6-diamine (PubChem CID 107489454) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is 6-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-indazole-5,6-diamine.

Molecular Properties

Compound Name6-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-indazole-5,6-diamine
PubChem CID107489454
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC Name6-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-indazole-5,6-diamine
SMILESCc1cc(C(C)Nc2cc3[nH]ncc3cc2N)c(C)s1
InChIInChI=1S/C15H18N4S/c1-8-4-12(10(3)20-8)9(2)18-15-6-14-11(5-13(15)16)7-17-19-14/h4-7,9,18H,16H2,1-3H3,(H,17,19)
InChIKeyZHSBKWDHHUNCSF-UHFFFAOYSA-N
XLogP4.00
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 54.00
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

6-N-[1-(5-chlorothiophen-2-yl)ethyl]-1H-indazole-5,6-diamine
CID 107489383
6-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indazole-5,6-diamine
CID 114159574
3-[(5-amino-1H-indazol-6-yl)amino]-4-methylpentan-1-ol
CID 114176711
methyl 2-[(5-amino-1H-indazol-6-yl)amino]-3-methylbutanoate
CID 107489722
2-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluoro-5-iodobenzene-1,2-diamine
CID 66099897
2-[(5-amino-1H-indazol-6-yl)amino]-N-tert-butylpropanamide
CID 107490904
4-bromo-2-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzene-1,2-diamine
CID 65343083
4-chloro-1-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzene-1,2-diamine
CID 54965014
6-N-tert-butyl-1H-indazole-5,6-diamine
CID 107488480
6-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-indazole-5,6-diamine
CID 107489402
4-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112726778
6-N-[5-(diethylamino)pentan-2-yl]-1H-indazole-5,6-diamine
CID 107488380

Frequently Asked Questions

What is the IUPAC name of 6-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-indazole-5,6-diamine?
The IUPAC name of 6-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-indazole-5,6-diamine (CID 107489454) is 6-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-indazole-5,6-diamine.
What is the SMILES notation for 6-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-indazole-5,6-diamine?
The canonical SMILES for 6-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-indazole-5,6-diamine is Cc1cc(C(C)Nc2cc3[nH]ncc3cc2N)c(C)s1.
What is the InChIKey of 6-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-indazole-5,6-diamine?
The InChIKey is ZHSBKWDHHUNCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S/c1-8-4-12(10(3)20-8)9(2)18-15-6-14-11(5-13(15)16)7-17-19-14/h4-7,9,18H,16H2,1-3H3,(H,17,19).
What are the key properties of 6-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-indazole-5,6-diamine?
6-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-indazole-5,6-diamine has a molecular weight of 286.40 g/mol, XLogP of 4.00, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-indazole-5,6-diamine is sourced from PubChem (CID 107489454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).