[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]methanol

C16H13F3N4OS — CID 118565755

IUPAC[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]methanol
SMILESCc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc(CO)s2)c1
InChIInChI=1S/C16H13F3N4OS/c1-9-4-11(12-7-21-15(8-24)25-12)22-14(5-9)23-13-6-10(2-3-20-13)16(17,18)19/h2-7,24H,8H2,1H3,(H,20,22,23)
InChIKeyJMURQEAAEJHWKK-UHFFFAOYSA-N
MW366.37 g/mol
LogP4.16
Rot. Bonds4

About [5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]methanol

[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]methanol (PubChem CID 118565755) has the molecular formula C16H13F3N4OS and a molecular weight of 366.37 g/mol. Its IUPAC name is [5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Name[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]methanol
PubChem CID118565755
Molecular FormulaC16H13F3N4OS
Molecular Weight366.37 g/mol
Exact Mass366.08
IUPAC Name[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]methanol
SMILESCc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc(CO)s2)c1
InChIInChI=1S/C16H13F3N4OS/c1-9-4-11(12-7-21-15(8-24)25-12)22-14(5-9)23-13-6-10(2-3-20-13)16(17,18)19/h2-7,24H,8H2,1H3,(H,20,22,23)
InChIKeyJMURQEAAEJHWKK-UHFFFAOYSA-N
XLogP4.16
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]methanol?
The IUPAC name of [5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]methanol (CID 118565755) is [5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for [5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]methanol?
The canonical SMILES for [5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]methanol is Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc(CO)s2)c1.
What is the InChIKey of [5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]methanol?
The InChIKey is JMURQEAAEJHWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4OS/c1-9-4-11(12-7-21-15(8-24)25-12)22-14(5-9)23-13-6-10(2-3-20-13)16(17,18)19/h2-7,24H,8H2,1H3,(H,20,22,23).
What are the key properties of [5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]methanol?
[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]methanol has a molecular weight of 366.37 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 118565755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).