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

C19H16FN7OS — CID 24959699

IUPAC2-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2nnnn2Cc2ccc(F)cc2)sc1C(=O)NCc1cccnc1
InChIInChI=1S/C19H16FN7OS/c1-12-16(18(28)22-10-14-3-2-8-21-9-14)29-19(23-12)17-24-25-26-27(17)11-13-4-6-15(20)7-5-13/h2-9H,10-11H2,1H3,(H,22,28)
InChIKeyVSGMTKYBSYCWGF-UHFFFAOYSA-N
MW409.45 g/mol
LogP2.62
Rot. Bonds6

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

2-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 24959699) has the molecular formula C19H16FN7OS and a molecular weight of 409.45 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID24959699
Molecular FormulaC19H16FN7OS
Molecular Weight409.45 g/mol
Exact Mass409.11
IUPAC Name2-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2nnnn2Cc2ccc(F)cc2)sc1C(=O)NCc1cccnc1
InChIInChI=1S/C19H16FN7OS/c1-12-16(18(28)22-10-14-3-2-8-21-9-14)29-19(23-12)17-24-25-26-27(17)11-13-4-6-15(20)7-5-13/h2-9H,10-11H2,1H3,(H,22,28)
InChIKeyVSGMTKYBSYCWGF-UHFFFAOYSA-N
XLogP2.62
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 59481196

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide (CID 24959699) is 2-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide is Cc1nc(-c2nnnn2Cc2ccc(F)cc2)sc1C(=O)NCc1cccnc1.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is VSGMTKYBSYCWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN7OS/c1-12-16(18(28)22-10-14-3-2-8-21-9-14)29-19(23-12)17-24-25-26-27(17)11-13-4-6-15(20)7-5-13/h2-9H,10-11H2,1H3,(H,22,28).
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
2-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24959699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).