N-[5-(3-chloro-2-pyridinyl)-1-methylindazol-3-yl]-1,3-thiazol-2-amine

C16H12ClN5S — CID 87420112

IUPACN-[5-(3-chloro-2-pyridinyl)-1-methylindazol-3-yl]-1,3-thiazol-2-amine
SMILESCn1nc(Nc2nccs2)c2cc(-c3ncccc3Cl)ccc21
InChIInChI=1S/C16H12ClN5S/c1-22-13-5-4-10(14-12(17)3-2-6-18-14)9-11(13)15(21-22)20-16-19-7-8-23-16/h2-9H,1H3,(H,19,20,21)
InChIKeyCCXLNCDKILNMDN-UHFFFAOYSA-N
MW341.83 g/mol
LogP4.49
Rot. Bonds3

About N-[5-(3-chloro-2-pyridinyl)-1-methylindazol-3-yl]-1,3-thiazol-2-amine

N-[5-(3-chloro-2-pyridinyl)-1-methylindazol-3-yl]-1,3-thiazol-2-amine (PubChem CID 87420112) has the molecular formula C16H12ClN5S and a molecular weight of 341.83 g/mol. Its IUPAC name is N-[5-(3-chloro-2-pyridinyl)-1-methylindazol-3-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[5-(3-chloro-2-pyridinyl)-1-methylindazol-3-yl]-1,3-thiazol-2-amine
PubChem CID87420112
Molecular FormulaC16H12ClN5S
Molecular Weight341.83 g/mol
Exact Mass341.05
IUPAC NameN-[5-(3-chloro-2-pyridinyl)-1-methylindazol-3-yl]-1,3-thiazol-2-amine
SMILESCn1nc(Nc2nccs2)c2cc(-c3ncccc3Cl)ccc21
InChIInChI=1S/C16H12ClN5S/c1-22-13-5-4-10(14-12(17)3-2-6-18-14)9-11(13)15(21-22)20-16-19-7-8-23-16/h2-9H,1H3,(H,19,20,21)
InChIKeyCCXLNCDKILNMDN-UHFFFAOYSA-N
XLogP4.49
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.83
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-(3-chloro-2-pyridinyl)-1-methylindazol-3-yl]-1,3-thiazol-2-amine 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

5-(3-chloro-2-pyridinyl)-N-(6-methylpyridazin-3-yl)-1-(2-trimethylsilylethoxymethyl)indazol-3-amine
CID 58540832
3-chloro-2-(3,4-dichlorophenyl)pyridine
CID 133088428
5-(3-chloro-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-amine
CID 58540680
N-[5-(2-methylpyrazol-3-yl)-1H-indazol-3-yl]-1,3-thiazol-2-amine
CID 87420118
N-[1-ethyl-5-(trifluoromethyl)indazol-3-yl]-1,3-thiazol-2-amine
CID 58990910
N-[5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]-5-[(dimethylamino)methyl]-1,3-thiazol-2-amine
CID 86660043
N-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1,3-thiazol-2-amine
CID 87420139
N-[1-[3-(dimethylamino)propyl]-5-(trifluoromethyl)indazol-3-yl]-1,3-thiazol-2-amine
CID 25052208
6-N-(3-chloro-4-methylphenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 22546640
N-[5-(chloromethyl)-1-methylpyrazol-3-yl]-1,3-thiazol-2-amine
CID 177246220
5-bromo-N-(3-chlorophenyl)-1-methylindazol-3-amine
CID 24990959
5-chloro-4-(4-methylphenyl)-N-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
CID 7125749

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-chloro-2-pyridinyl)-1-methylindazol-3-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-[5-(3-chloro-2-pyridinyl)-1-methylindazol-3-yl]-1,3-thiazol-2-amine (CID 87420112) is N-[5-(3-chloro-2-pyridinyl)-1-methylindazol-3-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[5-(3-chloro-2-pyridinyl)-1-methylindazol-3-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[5-(3-chloro-2-pyridinyl)-1-methylindazol-3-yl]-1,3-thiazol-2-amine is Cn1nc(Nc2nccs2)c2cc(-c3ncccc3Cl)ccc21.
What is the InChIKey of N-[5-(3-chloro-2-pyridinyl)-1-methylindazol-3-yl]-1,3-thiazol-2-amine?
The InChIKey is CCXLNCDKILNMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN5S/c1-22-13-5-4-10(14-12(17)3-2-6-18-14)9-11(13)15(21-22)20-16-19-7-8-23-16/h2-9H,1H3,(H,19,20,21).
What are the key properties of N-[5-(3-chloro-2-pyridinyl)-1-methylindazol-3-yl]-1,3-thiazol-2-amine?
N-[5-(3-chloro-2-pyridinyl)-1-methylindazol-3-yl]-1,3-thiazol-2-amine has a molecular weight of 341.83 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-chloro-2-pyridinyl)-1-methylindazol-3-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 87420112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).