N-(4-fluorophenyl)-2-[2-oxo-2-[(5-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylacetamide

C19H16FN3O2S2 — CID 55637671

IUPACN-(4-fluorophenyl)-2-[2-oxo-2-[(5-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylacetamide
SMILESO=C(CSCC(=O)Nc1ncc(-c2ccccc2)s1)Nc1ccc(F)cc1
InChIInChI=1S/C19H16FN3O2S2/c20-14-6-8-15(9-7-14)22-17(24)11-26-12-18(25)23-19-21-10-16(27-19)13-4-2-1-3-5-13/h1-10H,11-12H2,(H,22,24)(H,21,23,25)
InChIKeyPDWGWZKKKSEHLS-UHFFFAOYSA-N
MW401.49 g/mol
LogP4.26
Rot. Bonds7

About N-(4-fluorophenyl)-2-[2-oxo-2-[(5-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylacetamide

N-(4-fluorophenyl)-2-[2-oxo-2-[(5-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylacetamide (PubChem CID 55637671) has the molecular formula C19H16FN3O2S2 and a molecular weight of 401.49 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[2-oxo-2-[(5-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[2-oxo-2-[(5-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylacetamide
PubChem CID55637671
Molecular FormulaC19H16FN3O2S2
Molecular Weight401.49 g/mol
Exact Mass401.07
IUPAC NameN-(4-fluorophenyl)-2-[2-oxo-2-[(5-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylacetamide
SMILESO=C(CSCC(=O)Nc1ncc(-c2ccccc2)s1)Nc1ccc(F)cc1
InChIInChI=1S/C19H16FN3O2S2/c20-14-6-8-15(9-7-14)22-17(24)11-26-12-18(25)23-19-21-10-16(27-19)13-4-2-1-3-5-13/h1-10H,11-12H2,(H,22,24)(H,21,23,25)
InChIKeyPDWGWZKKKSEHLS-UHFFFAOYSA-N
XLogP4.26
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-fluorophenyl)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
CID 47028162
2-cyano-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
CID 146190140
2-(cyclopropylmethylamino)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
CID 119720410
2-[2-[(5-benzyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 31484325
2-(cyclopropylmethylamino)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 119720409
4-bromo-1-(4-fluorophenyl)-N-(5-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 86967594
3-methyl-5-oxo-5-[(5-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid
CID 155962659
N-(4-fluorophenyl)-2-(3-phenoxypropylsulfanyl)acetamide
CID 7731614
phenyl N-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamate
CID 20829966
2-benzylsulfanyl-N-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
CID 40827744
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
CID 86979352
2-[4-[(5-phenyl-1,3-thiazol-2-yl)carbamoylamino]phenyl]-N-propan-2-ylacetamide
CID 48769108

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[2-oxo-2-[(5-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[2-oxo-2-[(5-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylacetamide (CID 55637671) is N-(4-fluorophenyl)-2-[2-oxo-2-[(5-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[2-oxo-2-[(5-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[2-oxo-2-[(5-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylacetamide is O=C(CSCC(=O)Nc1ncc(-c2ccccc2)s1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[2-oxo-2-[(5-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylacetamide?
The InChIKey is PDWGWZKKKSEHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2S2/c20-14-6-8-15(9-7-14)22-17(24)11-26-12-18(25)23-19-21-10-16(27-19)13-4-2-1-3-5-13/h1-10H,11-12H2,(H,22,24)(H,21,23,25).
What are the key properties of N-(4-fluorophenyl)-2-[2-oxo-2-[(5-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylacetamide?
N-(4-fluorophenyl)-2-[2-oxo-2-[(5-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylacetamide has a molecular weight of 401.49 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[2-oxo-2-[(5-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylacetamide is sourced from PubChem (CID 55637671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).