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

C19H16F3N5OS — CID 129203012

IUPAC(4-methyl-1,3-thiazol-5-yl)-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]amino]methanol
SMILESCc1ncsc1C(O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12
InChIInChI=1S/C19H16F3N5OS/c1-11-16(29-10-24-11)18(28)25-17-13-4-2-3-5-14(13)27(26-17)9-12-6-7-15(23-8-12)19(20,21)22/h2-8,10,18,28H,9H2,1H3,(H,25,26)
InChIKeyNLCPVKPGQHUUTD-UHFFFAOYSA-N
MW419.43 g/mol
LogP4.37
Rot. Bonds5

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

(4-methyl-1,3-thiazol-5-yl)-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]amino]methanol (PubChem CID 129203012) has the molecular formula C19H16F3N5OS and a molecular weight of 419.43 g/mol. Its IUPAC name is (4-methyl-1,3-thiazol-5-yl)-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]amino]methanol.

Molecular Properties

Compound Name(4-methyl-1,3-thiazol-5-yl)-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]amino]methanol
PubChem CID129203012
Molecular FormulaC19H16F3N5OS
Molecular Weight419.43 g/mol
Exact Mass419.10
IUPAC Name(4-methyl-1,3-thiazol-5-yl)-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]amino]methanol
SMILESCc1ncsc1C(O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12
InChIInChI=1S/C19H16F3N5OS/c1-11-16(29-10-24-11)18(28)25-17-13-4-2-3-5-14(13)27(26-17)9-12-6-7-15(23-8-12)19(20,21)22/h2-8,10,18,28H,9H2,1H3,(H,25,26)
InChIKeyNLCPVKPGQHUUTD-UHFFFAOYSA-N
XLogP4.37
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-thiazol-5-yl)-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]amino]methanol?
The IUPAC name of (4-methyl-1,3-thiazol-5-yl)-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]amino]methanol (CID 129203012) is (4-methyl-1,3-thiazol-5-yl)-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]amino]methanol.
What is the SMILES notation for (4-methyl-1,3-thiazol-5-yl)-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]amino]methanol?
The canonical SMILES for (4-methyl-1,3-thiazol-5-yl)-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]amino]methanol is Cc1ncsc1C(O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12.
What is the InChIKey of (4-methyl-1,3-thiazol-5-yl)-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]amino]methanol?
The InChIKey is NLCPVKPGQHUUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5OS/c1-11-16(29-10-24-11)18(28)25-17-13-4-2-3-5-14(13)27(26-17)9-12-6-7-15(23-8-12)19(20,21)22/h2-8,10,18,28H,9H2,1H3,(H,25,26).
What are the key properties of (4-methyl-1,3-thiazol-5-yl)-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]amino]methanol?
(4-methyl-1,3-thiazol-5-yl)-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]amino]methanol has a molecular weight of 419.43 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-thiazol-5-yl)-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]amino]methanol is sourced from PubChem (CID 129203012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).