N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

C19H15F2N5OS4 — CID 16576708

IUPACN-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(NCCc2cccs2)s1)Nc1nc(-c2cc(F)ccc2F)cs1
InChIInChI=1S/C19H15F2N5OS4/c20-11-3-4-14(21)13(8-11)15-9-29-18(23-15)24-16(27)10-30-19-26-25-17(31-19)22-6-5-12-2-1-7-28-12/h1-4,7-9H,5-6,10H2,(H,22,25)(H,23,24,27)
InChIKeyCZXVURIEUXPTRV-UHFFFAOYSA-N
MW495.63 g/mol
LogP5.39
Rot. Bonds9

About N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 16576708) has the molecular formula C19H15F2N5OS4 and a molecular weight of 495.63 g/mol. Its IUPAC name is N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID16576708
Molecular FormulaC19H15F2N5OS4
Molecular Weight495.63 g/mol
Exact Mass495.01
IUPAC NameN-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(NCCc2cccs2)s1)Nc1nc(-c2cc(F)ccc2F)cs1
InChIInChI=1S/C19H15F2N5OS4/c20-11-3-4-14(21)13(8-11)15-9-29-18(23-15)24-16(27)10-30-19-26-25-17(31-19)22-6-5-12-2-1-7-28-12/h1-4,7-9H,5-6,10H2,(H,22,25)(H,23,24,27)
InChIKeyCZXVURIEUXPTRV-UHFFFAOYSA-N
XLogP5.39
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.63
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 42970950
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
CID 24594716
N-(3-cyanothiophen-2-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 46664689
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 35859238
N-(2,5-difluorophenyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 24562933
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7866667
N-[1-(4-ethylphenyl)ethyl]-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 18274599
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 7888834
N-(2-methylsulfonylphenyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 24562908
N-(2-methoxy-5-methylphenyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 46664702
2-(4-acetamidophenyl)sulfanyl-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 34518213
5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 18279765

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 16576708) is N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is O=C(CSc1nnc(NCCc2cccs2)s1)Nc1nc(-c2cc(F)ccc2F)cs1.
What is the InChIKey of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is CZXVURIEUXPTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5OS4/c20-11-3-4-14(21)13(8-11)15-9-29-18(23-15)24-16(27)10-30-19-26-25-17(31-19)22-6-5-12-2-1-7-28-12/h1-4,7-9H,5-6,10H2,(H,22,25)(H,23,24,27).
What are the key properties of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 495.63 g/mol, XLogP of 5.39, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 16576708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).