N-[1-(1,3-thiazol-2-yl)ethyl]-1H-indazol-4-amine

C12H12N4S — CID 64992997

IUPACN-[1-(1,3-thiazol-2-yl)ethyl]-1H-indazol-4-amine
SMILESCC(Nc1cccc2[nH]ncc12)c1nccs1
InChIInChI=1S/C12H12N4S/c1-8(12-13-5-6-17-12)15-10-3-2-4-11-9(10)7-14-16-11/h2-8,15H,1H3,(H,14,16)
InChIKeyBSHACLJKXYFDMY-UHFFFAOYSA-N
MW244.32 g/mol
LogP3.19
Rot. Bonds3

About N-[1-(1,3-thiazol-2-yl)ethyl]-1H-indazol-4-amine

N-[1-(1,3-thiazol-2-yl)ethyl]-1H-indazol-4-amine (PubChem CID 64992997) has the molecular formula C12H12N4S and a molecular weight of 244.32 g/mol. Its IUPAC name is N-[1-(1,3-thiazol-2-yl)ethyl]-1H-indazol-4-amine.

Molecular Properties

Compound NameN-[1-(1,3-thiazol-2-yl)ethyl]-1H-indazol-4-amine
PubChem CID64992997
Molecular FormulaC12H12N4S
Molecular Weight244.32 g/mol
Exact Mass244.08
IUPAC NameN-[1-(1,3-thiazol-2-yl)ethyl]-1H-indazol-4-amine
SMILESCC(Nc1cccc2[nH]ncc12)c1nccs1
InChIInChI=1S/C12H12N4S/c1-8(12-13-5-6-17-12)15-10-3-2-4-11-9(10)7-14-16-11/h2-8,15H,1H3,(H,14,16)
InChIKeyBSHACLJKXYFDMY-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-chlorothiophen-3-yl)ethyl]-1H-indazol-4-amine
CID 114082695
N-(1-pyridin-3-ylethyl)-1H-indazol-4-amine
CID 54865736
2-fluoro-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]aniline
CID 96824348
3-bromo-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 115928704
N-[1-(4-ethoxyphenyl)ethyl]-1H-indazol-4-amine
CID 60931875
(2S)-2-(1H-indazol-4-ylamino)propanoic acid
CID 175797922
8-methoxy-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]quinolin-4-amine
CID 99838885
2-nitro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine
CID 112689948
2-methyl-3-[1-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide
CID 64993195
4-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine
CID 96824409
2-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64988333
N-[1-(1,3-thiazol-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)aniline
CID 64993427

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-thiazol-2-yl)ethyl]-1H-indazol-4-amine?
The IUPAC name of N-[1-(1,3-thiazol-2-yl)ethyl]-1H-indazol-4-amine (CID 64992997) is N-[1-(1,3-thiazol-2-yl)ethyl]-1H-indazol-4-amine.
What is the SMILES notation for N-[1-(1,3-thiazol-2-yl)ethyl]-1H-indazol-4-amine?
The canonical SMILES for N-[1-(1,3-thiazol-2-yl)ethyl]-1H-indazol-4-amine is CC(Nc1cccc2[nH]ncc12)c1nccs1.
What is the InChIKey of N-[1-(1,3-thiazol-2-yl)ethyl]-1H-indazol-4-amine?
The InChIKey is BSHACLJKXYFDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S/c1-8(12-13-5-6-17-12)15-10-3-2-4-11-9(10)7-14-16-11/h2-8,15H,1H3,(H,14,16).
What are the key properties of N-[1-(1,3-thiazol-2-yl)ethyl]-1H-indazol-4-amine?
N-[1-(1,3-thiazol-2-yl)ethyl]-1H-indazol-4-amine has a molecular weight of 244.32 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-thiazol-2-yl)ethyl]-1H-indazol-4-amine is sourced from PubChem (CID 64992997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).