N-[1-[3-(dimethylamino)propyl]-5-(trifluoromethyl)indazol-3-yl]-1,3-thiazol-2-amine

C16H18F3N5S — CID 25052208

IUPACN-[1-[3-(dimethylamino)propyl]-5-(trifluoromethyl)indazol-3-yl]-1,3-thiazol-2-amine
SMILESCN(C)CCCn1nc(Nc2nccs2)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C16H18F3N5S/c1-23(2)7-3-8-24-13-5-4-11(16(17,18)19)10-12(13)14(22-24)21-15-20-6-9-25-15/h4-6,9-10H,3,7-8H2,1-2H3,(H,20,21,22)
InChIKeyOODJJRXYMRKHKM-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.21
Rot. Bonds6

About N-[1-[3-(dimethylamino)propyl]-5-(trifluoromethyl)indazol-3-yl]-1,3-thiazol-2-amine

N-[1-[3-(dimethylamino)propyl]-5-(trifluoromethyl)indazol-3-yl]-1,3-thiazol-2-amine (PubChem CID 25052208) has the molecular formula C16H18F3N5S and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[1-[3-(dimethylamino)propyl]-5-(trifluoromethyl)indazol-3-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-[3-(dimethylamino)propyl]-5-(trifluoromethyl)indazol-3-yl]-1,3-thiazol-2-amine
PubChem CID25052208
Molecular FormulaC16H18F3N5S
Molecular Weight369.42 g/mol
Exact Mass369.12
IUPAC NameN-[1-[3-(dimethylamino)propyl]-5-(trifluoromethyl)indazol-3-yl]-1,3-thiazol-2-amine
SMILESCN(C)CCCn1nc(Nc2nccs2)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C16H18F3N5S/c1-23(2)7-3-8-24-13-5-4-11(16(17,18)19)10-12(13)14(22-24)21-15-20-6-9-25-15/h4-6,9-10H,3,7-8H2,1-2H3,(H,20,21,22)
InChIKeyOODJJRXYMRKHKM-UHFFFAOYSA-N
XLogP4.21
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-ethyl-5-(trifluoromethyl)indazol-3-yl]-1,3-thiazol-2-amine
CID 58990910
1-(4-aminobutyl)-N-(4,5-dihydrothiepin-2-yl)-5-(trifluoromethyl)indazol-3-amine
CID 152897643
1-butyl-3-phenyl-5-(trifluoromethyl)indazole
CID 69431115
N-(4-tert-butylphenyl)-1,3-thiazol-2-amine
CID 89458948
N-[5-(3-chloro-2-pyridinyl)-1-methylindazol-3-yl]-1,3-thiazol-2-amine
CID 87420112
3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 46308922
N',N'-dimethyl-N-[4-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 62648258
N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-7-(trifluoromethyl)quinolin-4-amine
CID 133413138
N-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-amine
CID 87538093
3-(3,6-dimethylindazol-1-yl)-N,N-dimethylpropan-1-amine;ethane
CID 144540628
N-[5-(chloromethyl)-1-methylpyrazol-3-yl]-1,3-thiazol-2-amine
CID 177246220
2-[2-(1-chloroethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylethanamine
CID 115502152

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(dimethylamino)propyl]-5-(trifluoromethyl)indazol-3-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-[1-[3-(dimethylamino)propyl]-5-(trifluoromethyl)indazol-3-yl]-1,3-thiazol-2-amine (CID 25052208) is N-[1-[3-(dimethylamino)propyl]-5-(trifluoromethyl)indazol-3-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-[3-(dimethylamino)propyl]-5-(trifluoromethyl)indazol-3-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-[3-(dimethylamino)propyl]-5-(trifluoromethyl)indazol-3-yl]-1,3-thiazol-2-amine is CN(C)CCCn1nc(Nc2nccs2)c2cc(C(F)(F)F)ccc21.
What is the InChIKey of N-[1-[3-(dimethylamino)propyl]-5-(trifluoromethyl)indazol-3-yl]-1,3-thiazol-2-amine?
The InChIKey is OODJJRXYMRKHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5S/c1-23(2)7-3-8-24-13-5-4-11(16(17,18)19)10-12(13)14(22-24)21-15-20-6-9-25-15/h4-6,9-10H,3,7-8H2,1-2H3,(H,20,21,22).
What are the key properties of N-[1-[3-(dimethylamino)propyl]-5-(trifluoromethyl)indazol-3-yl]-1,3-thiazol-2-amine?
N-[1-[3-(dimethylamino)propyl]-5-(trifluoromethyl)indazol-3-yl]-1,3-thiazol-2-amine has a molecular weight of 369.42 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(dimethylamino)propyl]-5-(trifluoromethyl)indazol-3-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 25052208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).