4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]-1,3-thiazole-5-carboxamide

C20H16F3N7OS — CID 24959700

IUPAC4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2nnnn2Cc2ccc(C(F)(F)F)cc2)sc1C(=O)NCc1cccnc1
InChIInChI=1S/C20H16F3N7OS/c1-12-16(18(31)25-10-14-3-2-8-24-9-14)32-19(26-12)17-27-28-29-30(17)11-13-4-6-15(7-5-13)20(21,22)23/h2-9H,10-11H2,1H3,(H,25,31)
InChIKeyUVWIDAQAHSCALM-UHFFFAOYSA-N
MW459.46 g/mol
LogP3.50
Rot. Bonds6

About 4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]-1,3-thiazole-5-carboxamide

4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]-1,3-thiazole-5-carboxamide (PubChem CID 24959700) has the molecular formula C20H16F3N7OS and a molecular weight of 459.46 g/mol. Its IUPAC name is 4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]-1,3-thiazole-5-carboxamide
PubChem CID24959700
Molecular FormulaC20H16F3N7OS
Molecular Weight459.46 g/mol
Exact Mass459.11
IUPAC Name4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2nnnn2Cc2ccc(C(F)(F)F)cc2)sc1C(=O)NCc1cccnc1
InChIInChI=1S/C20H16F3N7OS/c1-12-16(18(31)25-10-14-3-2-8-24-9-14)32-19(26-12)17-27-28-29-30(17)11-13-4-6-15(7-5-13)20(21,22)23/h2-9H,10-11H2,1H3,(H,25,31)
InChIKeyUVWIDAQAHSCALM-UHFFFAOYSA-N
XLogP3.50
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.46
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]-1,3-thiazole-5-carboxamide (CID 24959700) is 4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]-1,3-thiazole-5-carboxamide is Cc1nc(-c2nnnn2Cc2ccc(C(F)(F)F)cc2)sc1C(=O)NCc1cccnc1.
What is the InChIKey of 4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is UVWIDAQAHSCALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N7OS/c1-12-16(18(31)25-10-14-3-2-8-24-9-14)32-19(26-12)17-27-28-29-30(17)11-13-4-6-15(7-5-13)20(21,22)23/h2-9H,10-11H2,1H3,(H,25,31).
What are the key properties of 4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]-1,3-thiazole-5-carboxamide?
4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 459.46 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24959700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).