N-[(3-fluoro-5-methyl-4-pyridinyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine

C15H13F4N5S — CID 162591228

IUPACN-[(3-fluoro-5-methyl-4-pyridinyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine
SMILESCc1cncc(F)c1CNc1ncc(-c2cc(C(F)(F)F)nn2C)s1
InChIInChI=1S/C15H13F4N5S/c1-8-4-20-6-10(16)9(8)5-21-14-22-7-12(25-14)11-3-13(15(17,18)19)23-24(11)2/h3-4,6-7H,5H2,1-2H3,(H,21,22)
InChIKeyLWEGKINJLZZREJ-UHFFFAOYSA-N
MW371.36 g/mol
LogP4.02
Rot. Bonds4

About N-[(3-fluoro-5-methyl-4-pyridinyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine

N-[(3-fluoro-5-methyl-4-pyridinyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine (PubChem CID 162591228) has the molecular formula C15H13F4N5S and a molecular weight of 371.36 g/mol. Its IUPAC name is N-[(3-fluoro-5-methyl-4-pyridinyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(3-fluoro-5-methyl-4-pyridinyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine
PubChem CID162591228
Molecular FormulaC15H13F4N5S
Molecular Weight371.36 g/mol
Exact Mass371.08
IUPAC NameN-[(3-fluoro-5-methyl-4-pyridinyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine
SMILESCc1cncc(F)c1CNc1ncc(-c2cc(C(F)(F)F)nn2C)s1
InChIInChI=1S/C15H13F4N5S/c1-8-4-20-6-10(16)9(8)5-21-14-22-7-12(25-14)11-3-13(15(17,18)19)23-24(11)2/h3-4,6-7H,5H2,1-2H3,(H,21,22)
InChIKeyLWEGKINJLZZREJ-UHFFFAOYSA-N
XLogP4.02
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,4-difluoro-6-methylphenyl)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine
CID 123448912
N-[(2-fluoro-6-methylphenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine
CID 71086589
3-fluoro-N-[(2-fluoro-6-methylphenyl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline
CID 71554071
5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(3,5-difluoro-4-pyridinyl)methyl]-1,3-thiazol-2-amine
CID 71473962
5-(5-bromothiophen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole
CID 116861950
3-fluoro-N-[(4-methyl-3-pyridinyl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline
CID 71554165
5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-propan-2-ylthiophene-2-sulfonamide
CID 23548851
1-methyl-5-(3-methylthiophen-2-yl)-3-(trifluoromethyl)pyrazole
CID 116861982
N-(3,5-difluoro-4-pyridinyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2H-1,3-thiazole-3-carboxamide
CID 123566939
1-(2,5-dimethylpyrazol-3-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]methanamine
CID 122166754
2-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-2-yl]propan-2-ol
CID 178058442
6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine
CID 90184798

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-5-methyl-4-pyridinyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-[(3-fluoro-5-methyl-4-pyridinyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine (CID 162591228) is N-[(3-fluoro-5-methyl-4-pyridinyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(3-fluoro-5-methyl-4-pyridinyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[(3-fluoro-5-methyl-4-pyridinyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine is Cc1cncc(F)c1CNc1ncc(-c2cc(C(F)(F)F)nn2C)s1.
What is the InChIKey of N-[(3-fluoro-5-methyl-4-pyridinyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine?
The InChIKey is LWEGKINJLZZREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4N5S/c1-8-4-20-6-10(16)9(8)5-21-14-22-7-12(25-14)11-3-13(15(17,18)19)23-24(11)2/h3-4,6-7H,5H2,1-2H3,(H,21,22).
What are the key properties of N-[(3-fluoro-5-methyl-4-pyridinyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine?
N-[(3-fluoro-5-methyl-4-pyridinyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine has a molecular weight of 371.36 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-5-methyl-4-pyridinyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 162591228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).