N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indazol-6-amine

C12H12N4S — CID 54868500

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indazol-6-amine
SMILESCc1ncc(CNc2ccc3cn[nH]c3c2)s1
InChIInChI=1S/C12H12N4S/c1-8-13-6-11(17-8)7-14-10-3-2-9-5-15-16-12(9)4-10/h2-6,14H,7H2,1H3,(H,15,16)
InChIKeyBGCATZGBFNKOQE-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.94
Rot. Bonds3

About N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indazol-6-amine

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indazol-6-amine (PubChem CID 54868500) has the molecular formula C12H12N4S and a molecular weight of 244.32 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indazol-6-amine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indazol-6-amine
PubChem CID54868500
Molecular FormulaC12H12N4S
Molecular Weight244.32 g/mol
Exact Mass244.08
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indazol-6-amine
SMILESCc1ncc(CNc2ccc3cn[nH]c3c2)s1
InChIInChI=1S/C12H12N4S/c1-8-13-6-11(17-8)7-14-10-3-2-9-5-15-16-12(9)4-10/h2-6,14H,7H2,1H3,(H,15,16)
InChIKeyBGCATZGBFNKOQE-UHFFFAOYSA-N
XLogP2.94
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indazol-6-amine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indazol-6-amine (CID 54868500) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indazol-6-amine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indazol-6-amine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indazol-6-amine is Cc1ncc(CNc2ccc3cn[nH]c3c2)s1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indazol-6-amine?
The InChIKey is BGCATZGBFNKOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S/c1-8-13-6-11(17-8)7-14-10-3-2-9-5-15-16-12(9)4-10/h2-6,14H,7H2,1H3,(H,15,16).
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indazol-6-amine?
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indazol-6-amine has a molecular weight of 244.32 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indazol-6-amine is sourced from PubChem (CID 54868500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).