3,4-difluoro-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide

C17H14F2N2OS2 — CID 33212111

IUPAC3,4-difluoro-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide
SMILESCc1nc(-c2ccc(CCNC(=O)c3ccc(F)c(F)c3)s2)cs1
InChIInChI=1S/C17H14F2N2OS2/c1-10-21-15(9-23-10)16-5-3-12(24-16)6-7-20-17(22)11-2-4-13(18)14(19)8-11/h2-5,8-9H,6-7H2,1H3,(H,20,22)
InChIKeyPFLKIJYRNZKXTR-UHFFFAOYSA-N
MW364.44 g/mol
LogP4.43
Rot. Bonds5

About 3,4-difluoro-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide

3,4-difluoro-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide (PubChem CID 33212111) has the molecular formula C17H14F2N2OS2 and a molecular weight of 364.44 g/mol. Its IUPAC name is 3,4-difluoro-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide
PubChem CID33212111
Molecular FormulaC17H14F2N2OS2
Molecular Weight364.44 g/mol
Exact Mass364.05
IUPAC Name3,4-difluoro-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide
SMILESCc1nc(-c2ccc(CCNC(=O)c3ccc(F)c(F)c3)s2)cs1
InChIInChI=1S/C17H14F2N2OS2/c1-10-21-15(9-23-10)16-5-3-12(24-16)6-7-20-17(22)11-2-4-13(18)14(19)8-11/h2-5,8-9H,6-7H2,1H3,(H,20,22)
InChIKeyPFLKIJYRNZKXTR-UHFFFAOYSA-N
XLogP4.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide
CID 27294304
N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 33218960
3,4-dichloro-N-[2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-2-oxoethyl]benzamide
CID 42575181
4-tert-butyl-N-[2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-2-oxoethyl]benzamide
CID 42575172
3-(2-fluorophenyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide
CID 31685116
3-amino-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide
CID 119275087
2-methoxy-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
CID 47014812
2-chloro-5-methylsulfanyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide
CID 24533247
N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]naphthalene-1-carboxamide
CID 18284447
3-fluoro-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
CID 17488005
2-amino-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide;hydrochloride
CID 119275088
2-(methylamino)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
CID 119696595

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide (CID 33212111) is 3,4-difluoro-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide is Cc1nc(-c2ccc(CCNC(=O)c3ccc(F)c(F)c3)s2)cs1.
What is the InChIKey of 3,4-difluoro-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide?
The InChIKey is PFLKIJYRNZKXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2OS2/c1-10-21-15(9-23-10)16-5-3-12(24-16)6-7-20-17(22)11-2-4-13(18)14(19)8-11/h2-5,8-9H,6-7H2,1H3,(H,20,22).
What are the key properties of 3,4-difluoro-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide?
3,4-difluoro-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide has a molecular weight of 364.44 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide is sourced from PubChem (CID 33212111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).