3-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]amino]-4-(trifluoromethoxy)benzamide

C19H14F3N5O2S — CID 87941809

IUPAC3-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]amino]-4-(trifluoromethoxy)benzamide
SMILESCn1cnc2cc(-c3csc(Nc4cc(C(N)=O)ccc4OC(F)(F)F)n3)ccc21
InChIInChI=1S/C19H14F3N5O2S/c1-27-9-24-12-6-10(2-4-15(12)27)14-8-30-18(26-14)25-13-7-11(17(23)28)3-5-16(13)29-19(20,21)22/h2-9H,1H3,(H2,23,28)(H,25,26)
InChIKeyUPNFHMRTTFVWCH-UHFFFAOYSA-N
MW433.42 g/mol
LogP4.44
Rot. Bonds5

About 3-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]amino]-4-(trifluoromethoxy)benzamide

3-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]amino]-4-(trifluoromethoxy)benzamide (PubChem CID 87941809) has the molecular formula C19H14F3N5O2S and a molecular weight of 433.42 g/mol. Its IUPAC name is 3-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]amino]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name3-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]amino]-4-(trifluoromethoxy)benzamide
PubChem CID87941809
Molecular FormulaC19H14F3N5O2S
Molecular Weight433.42 g/mol
Exact Mass433.08
IUPAC Name3-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]amino]-4-(trifluoromethoxy)benzamide
SMILESCn1cnc2cc(-c3csc(Nc4cc(C(N)=O)ccc4OC(F)(F)F)n3)ccc21
InChIInChI=1S/C19H14F3N5O2S/c1-27-9-24-12-6-10(2-4-15(12)27)14-8-30-18(26-14)25-13-7-11(17(23)28)3-5-16(13)29-19(20,21)22/h2-9H,1H3,(H2,23,28)(H,25,26)
InChIKeyUPNFHMRTTFVWCH-UHFFFAOYSA-N
XLogP4.44
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.42
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]amino]-4-(trifluoromethoxy)benzamide?
The IUPAC name of 3-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]amino]-4-(trifluoromethoxy)benzamide (CID 87941809) is 3-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]amino]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for 3-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]amino]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for 3-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]amino]-4-(trifluoromethoxy)benzamide is Cn1cnc2cc(-c3csc(Nc4cc(C(N)=O)ccc4OC(F)(F)F)n3)ccc21.
What is the InChIKey of 3-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]amino]-4-(trifluoromethoxy)benzamide?
The InChIKey is UPNFHMRTTFVWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O2S/c1-27-9-24-12-6-10(2-4-15(12)27)14-8-30-18(26-14)25-13-7-11(17(23)28)3-5-16(13)29-19(20,21)22/h2-9H,1H3,(H2,23,28)(H,25,26).
What are the key properties of 3-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]amino]-4-(trifluoromethoxy)benzamide?
3-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]amino]-4-(trifluoromethoxy)benzamide has a molecular weight of 433.42 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]amino]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 87941809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).