N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(2-fluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide

C19H22FN5OS2 — CID 6500272

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(2-fluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide
SMILESCc1nc(NC(=O)C(C)Sc2nnc(-c3ccccc3F)n2C(C)C)sc1C
InChIInChI=1S/C19H22FN5OS2/c1-10(2)25-16(14-8-6-7-9-15(14)20)23-24-19(25)28-13(5)17(26)22-18-21-11(3)12(4)27-18/h6-10,13H,1-5H3,(H,21,22,26)
InChIKeySWKREIXJJIWDCG-UHFFFAOYSA-N
MW419.55 g/mol
LogP4.86
Rot. Bonds6

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(2-fluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(2-fluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide (PubChem CID 6500272) has the molecular formula C19H22FN5OS2 and a molecular weight of 419.55 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(2-fluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(2-fluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide
PubChem CID6500272
Molecular FormulaC19H22FN5OS2
Molecular Weight419.55 g/mol
Exact Mass419.12
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(2-fluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide
SMILESCc1nc(NC(=O)C(C)Sc2nnc(-c3ccccc3F)n2C(C)C)sc1C
InChIInChI=1S/C19H22FN5OS2/c1-10(2)25-16(14-8-6-7-9-15(14)20)23-24-19(25)28-13(5)17(26)22-18-21-11(3)12(4)27-18/h6-10,13H,1-5H3,(H,21,22,26)
InChIKeySWKREIXJJIWDCG-UHFFFAOYSA-N
XLogP4.86
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(2-fluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(2-fluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide (CID 6500272) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(2-fluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(2-fluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(2-fluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide is Cc1nc(NC(=O)C(C)Sc2nnc(-c3ccccc3F)n2C(C)C)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(2-fluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide?
The InChIKey is SWKREIXJJIWDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5OS2/c1-10(2)25-16(14-8-6-7-9-15(14)20)23-24-19(25)28-13(5)17(26)22-18-21-11(3)12(4)27-18/h6-10,13H,1-5H3,(H,21,22,26).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(2-fluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(2-fluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide has a molecular weight of 419.55 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(2-fluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide is sourced from PubChem (CID 6500272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).