N-(3-cyanothiophen-2-yl)-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]acetamide

C15H8F3N3OS3 — CID 155946419

IUPACN-(3-cyanothiophen-2-yl)-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]acetamide
SMILESN#Cc1ccsc1NC(=O)CSc1nc2cc(C(F)(F)F)ccc2s1
InChIInChI=1S/C15H8F3N3OS3/c16-15(17,18)9-1-2-11-10(5-9)20-14(25-11)24-7-12(22)21-13-8(6-19)3-4-23-13/h1-5H,7H2,(H,21,22)
InChIKeyGEVJOICULQQYBR-UHFFFAOYSA-N
MW399.44 g/mol
LogP4.98
Rot. Bonds4

About N-(3-cyanothiophen-2-yl)-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]acetamide

N-(3-cyanothiophen-2-yl)-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]acetamide (PubChem CID 155946419) has the molecular formula C15H8F3N3OS3 and a molecular weight of 399.44 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]acetamide
PubChem CID155946419
Molecular FormulaC15H8F3N3OS3
Molecular Weight399.44 g/mol
Exact Mass398.98
IUPAC NameN-(3-cyanothiophen-2-yl)-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]acetamide
SMILESN#Cc1ccsc1NC(=O)CSc1nc2cc(C(F)(F)F)ccc2s1
InChIInChI=1S/C15H8F3N3OS3/c16-15(17,18)9-1-2-11-10(5-9)20-14(25-11)24-7-12(22)21-13-8(6-19)3-4-23-13/h1-5H,7H2,(H,21,22)
InChIKeyGEVJOICULQQYBR-UHFFFAOYSA-N
XLogP4.98
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-cyanothiophen-2-yl)-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]acetamide with MolForge

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Related Compounds

N-(2-ethylphenyl)-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]acetamide
CID 1301484
N-(1-adamantyl)-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]acetamide
CID 2944571
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-chloro-4-cyanophenyl)acetamide
CID 3427027
2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyanothiophen-2-yl)acetamide
CID 16541636
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide
CID 4177656
2-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide
CID 4238642
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 2452228
2-[2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanylmethyl]phenyl]acetic acid
CID 19782677
N-(3-cyanothiophen-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide
CID 75495097
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 17386379
methyl 2-[2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanylmethyl]phenyl]acetate
CID 54520275
N-(3-cyanothiophen-2-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 42119297

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]acetamide (CID 155946419) is N-(3-cyanothiophen-2-yl)-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]acetamide is N#Cc1ccsc1NC(=O)CSc1nc2cc(C(F)(F)F)ccc2s1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]acetamide?
The InChIKey is GEVJOICULQQYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3N3OS3/c16-15(17,18)9-1-2-11-10(5-9)20-14(25-11)24-7-12(22)21-13-8(6-19)3-4-23-13/h1-5H,7H2,(H,21,22).
What are the key properties of N-(3-cyanothiophen-2-yl)-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]acetamide?
N-(3-cyanothiophen-2-yl)-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]acetamide has a molecular weight of 399.44 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 155946419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).