N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1H-indazol-5-amine

C13H12BrN3S — CID 102832434

IUPACN-[(4-bromo-5-methylthiophen-2-yl)methyl]-1H-indazol-5-amine
SMILESCc1sc(CNc2ccc3[nH]ncc3c2)cc1Br
InChIInChI=1S/C13H12BrN3S/c1-8-12(14)5-11(18-8)7-15-10-2-3-13-9(4-10)6-16-17-13/h2-6,15H,7H2,1H3,(H,16,17)
InChIKeyMQKPWTQLPOYZPF-UHFFFAOYSA-N
MW322.23 g/mol
LogP4.31
Rot. Bonds3

About N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1H-indazol-5-amine

N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1H-indazol-5-amine (PubChem CID 102832434) has the molecular formula C13H12BrN3S and a molecular weight of 322.23 g/mol. Its IUPAC name is N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[(4-bromo-5-methylthiophen-2-yl)methyl]-1H-indazol-5-amine
PubChem CID102832434
Molecular FormulaC13H12BrN3S
Molecular Weight322.23 g/mol
Exact Mass320.99
IUPAC NameN-[(4-bromo-5-methylthiophen-2-yl)methyl]-1H-indazol-5-amine
SMILESCc1sc(CNc2ccc3[nH]ncc3c2)cc1Br
InChIInChI=1S/C13H12BrN3S/c1-8-12(14)5-11(18-8)7-15-10-2-3-13-9(4-10)6-16-17-13/h2-6,15H,7H2,1H3,(H,16,17)
InChIKeyMQKPWTQLPOYZPF-UHFFFAOYSA-N
XLogP4.31
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.23
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4,5-trimethylphenyl)methyl]-1H-indazol-5-amine
CID 43782695
N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methyl]-1H-indazol-5-amine
CID 167814107
4-bromo-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-3-methylaniline
CID 102830288
5-[(4-bromo-5-methylthiophen-2-yl)methylamino]-2-methylisoindole-1,3-dione
CID 102830215
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methyl-1,3-benzoxazol-5-amine
CID 102831114
N-[(4-ethylphenyl)methyl]-1H-indazol-5-amine
CID 43690856
N-[(6-methyl-3-pyridinyl)methyl]-1H-indazol-5-amine
CID 104756562
5-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine
CID 102832425
N-[(4-tert-butylphenyl)methyl]-1H-indazol-5-amine
CID 43231004
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indazol-6-amine
CID 54868500
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanyl)aniline
CID 102833346
N-(thiophen-3-ylmethyl)-1H-indazol-5-amine
CID 43690874

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1H-indazol-5-amine?
The IUPAC name of N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1H-indazol-5-amine (CID 102832434) is N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1H-indazol-5-amine.
What is the SMILES notation for N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1H-indazol-5-amine?
The canonical SMILES for N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1H-indazol-5-amine is Cc1sc(CNc2ccc3[nH]ncc3c2)cc1Br.
What is the InChIKey of N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1H-indazol-5-amine?
The InChIKey is MQKPWTQLPOYZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3S/c1-8-12(14)5-11(18-8)7-15-10-2-3-13-9(4-10)6-16-17-13/h2-6,15H,7H2,1H3,(H,16,17).
What are the key properties of N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1H-indazol-5-amine?
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1H-indazol-5-amine has a molecular weight of 322.23 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1H-indazol-5-amine is sourced from PubChem (CID 102832434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).