5-chloro-N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methoxy-4-(tetrazol-1-yl)benzamide

C20H16ClFN6O2S — CID 55896465

IUPAC5-chloro-N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methoxy-4-(tetrazol-1-yl)benzamide
SMILESCOc1cc(-n2cnnn2)c(Cl)cc1C(=O)Nc1nc(C)c(Cc2ccc(F)cc2)s1
InChIInChI=1S/C20H16ClFN6O2S/c1-11-18(7-12-3-5-13(22)6-4-12)31-20(24-11)25-19(29)14-8-15(21)16(9-17(14)30-2)28-10-23-26-27-28/h3-6,8-10H,7H2,1-2H3,(H,24,25,29)
InChIKeyKCNBGXLIISUTHD-UHFFFAOYSA-N
MW458.91 g/mol
LogP4.07
Rot. Bonds6

About 5-chloro-N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methoxy-4-(tetrazol-1-yl)benzamide

5-chloro-N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methoxy-4-(tetrazol-1-yl)benzamide (PubChem CID 55896465) has the molecular formula C20H16ClFN6O2S and a molecular weight of 458.91 g/mol. Its IUPAC name is 5-chloro-N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methoxy-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name5-chloro-N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methoxy-4-(tetrazol-1-yl)benzamide
PubChem CID55896465
Molecular FormulaC20H16ClFN6O2S
Molecular Weight458.91 g/mol
Exact Mass458.07
IUPAC Name5-chloro-N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methoxy-4-(tetrazol-1-yl)benzamide
SMILESCOc1cc(-n2cnnn2)c(Cl)cc1C(=O)Nc1nc(C)c(Cc2ccc(F)cc2)s1
InChIInChI=1S/C20H16ClFN6O2S/c1-11-18(7-12-3-5-13(22)6-4-12)31-20(24-11)25-19(29)14-8-15(21)16(9-17(14)30-2)28-10-23-26-27-28/h3-6,8-10H,7H2,1-2H3,(H,24,25,29)
InChIKeyKCNBGXLIISUTHD-UHFFFAOYSA-N
XLogP4.07
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.91
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 55772829
5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide
CID 55772897
5-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide
CID 55777050
N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide
CID 56477672
5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
CID 78888403
N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide
CID 86991643
4-acetamido-5-chloro-2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 4989143
4-(acetylamino)-5-chloro-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-methoxybenzamide
CID 6490623
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide
CID 2470380
4-acetamido-5-chloro-2-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 2984920
4-acetamido-N-(1,3-benzothiazol-2-yl)-5-chloro-2-methoxybenzamide
CID 2988729
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide
CID 36348632

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methoxy-4-(tetrazol-1-yl)benzamide?
The IUPAC name of 5-chloro-N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methoxy-4-(tetrazol-1-yl)benzamide (CID 55896465) is 5-chloro-N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methoxy-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 5-chloro-N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methoxy-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for 5-chloro-N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methoxy-4-(tetrazol-1-yl)benzamide is COc1cc(-n2cnnn2)c(Cl)cc1C(=O)Nc1nc(C)c(Cc2ccc(F)cc2)s1.
What is the InChIKey of 5-chloro-N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methoxy-4-(tetrazol-1-yl)benzamide?
The InChIKey is KCNBGXLIISUTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN6O2S/c1-11-18(7-12-3-5-13(22)6-4-12)31-20(24-11)25-19(29)14-8-15(21)16(9-17(14)30-2)28-10-23-26-27-28/h3-6,8-10H,7H2,1-2H3,(H,24,25,29).
What are the key properties of 5-chloro-N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methoxy-4-(tetrazol-1-yl)benzamide?
5-chloro-N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methoxy-4-(tetrazol-1-yl)benzamide has a molecular weight of 458.91 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methoxy-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 55896465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).