N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

C16H16FN5OS3 — CID 8910635

IUPACN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCCCNc1nnc(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)s1
InChIInChI=1S/C16H16FN5OS3/c1-2-7-18-14-21-22-16(26-14)25-9-13(23)20-15-19-12(8-24-15)10-3-5-11(17)6-4-10/h3-6,8H,2,7,9H2,1H3,(H,18,21)(H,19,20,23)
InChIKeyQQKODXYRRXMZEX-UHFFFAOYSA-N
MW409.54 g/mol
LogP4.35
Rot. Bonds8

About N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 8910635) has the molecular formula C16H16FN5OS3 and a molecular weight of 409.54 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID8910635
Molecular FormulaC16H16FN5OS3
Molecular Weight409.54 g/mol
Exact Mass409.05
IUPAC NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCCCNc1nnc(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)s1
InChIInChI=1S/C16H16FN5OS3/c1-2-7-18-14-21-22-16(26-14)25-9-13(23)20-15-19-12(8-24-15)10-3-5-11(17)6-4-10/h3-6,8H,2,7,9H2,1H3,(H,18,21)(H,19,20,23)
InChIKeyQQKODXYRRXMZEX-UHFFFAOYSA-N
XLogP4.35
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.54
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 8910635) is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is CCCNc1nnc(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)s1.
What is the InChIKey of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is QQKODXYRRXMZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5OS3/c1-2-7-18-14-21-22-16(26-14)25-9-13(23)20-15-19-12(8-24-15)10-3-5-11(17)6-4-10/h3-6,8H,2,7,9H2,1H3,(H,18,21)(H,19,20,23).
What are the key properties of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 409.54 g/mol, XLogP of 4.35, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 8910635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).