N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide

C16H15FN6O2S — CID 47076524

IUPACN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide
SMILESCc1sc(NC(=O)CNC(=O)Cn2cncn2)nc1-c1ccc(F)cc1
InChIInChI=1S/C16H15FN6O2S/c1-10-15(11-2-4-12(17)5-3-11)22-16(26-10)21-13(24)6-19-14(25)7-23-9-18-8-20-23/h2-5,8-9H,6-7H2,1H3,(H,19,25)(H,21,22,24)
InChIKeySNVOAXXZPTZNJC-UHFFFAOYSA-N
MW374.40 g/mol
LogP1.60
Rot. Bonds6

About N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide

N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide (PubChem CID 47076524) has the molecular formula C16H15FN6O2S and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide
PubChem CID47076524
Molecular FormulaC16H15FN6O2S
Molecular Weight374.40 g/mol
Exact Mass374.10
IUPAC NameN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide
SMILESCc1sc(NC(=O)CNC(=O)Cn2cncn2)nc1-c1ccc(F)cc1
InChIInChI=1S/C16H15FN6O2S/c1-10-15(11-2-4-12(17)5-3-11)22-16(26-10)21-13(24)6-19-14(25)7-23-9-18-8-20-23/h2-5,8-9H,6-7H2,1H3,(H,19,25)(H,21,22,24)
InChIKeySNVOAXXZPTZNJC-UHFFFAOYSA-N
XLogP1.60
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide?
The IUPAC name of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide (CID 47076524) is N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide is Cc1sc(NC(=O)CNC(=O)Cn2cncn2)nc1-c1ccc(F)cc1.
What is the InChIKey of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide?
The InChIKey is SNVOAXXZPTZNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN6O2S/c1-10-15(11-2-4-12(17)5-3-11)22-16(26-10)21-13(24)6-19-14(25)7-23-9-18-8-20-23/h2-5,8-9H,6-7H2,1H3,(H,19,25)(H,21,22,24).
What are the key properties of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide?
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide has a molecular weight of 374.40 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide is sourced from PubChem (CID 47076524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).