N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide

C16H16FN5OS — CID 95338902

IUPACN-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide
SMILESC[C@@H](Cc1ccccc1F)NC(=O)Cc1csc(-c2ncn[nH]2)n1
InChIInChI=1S/C16H16FN5OS/c1-10(6-11-4-2-3-5-13(11)17)20-14(23)7-12-8-24-16(21-12)15-18-9-19-22-15/h2-5,8-10H,6-7H2,1H3,(H,20,23)(H,18,19,22)/t10-/m0/s1
InChIKeyTXJXRSJPAISQHF-JTQLQIEISA-N
MW345.40 g/mol
LogP2.36
Rot. Bonds6

About N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide

N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 95338902) has the molecular formula C16H16FN5OS and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID95338902
Molecular FormulaC16H16FN5OS
Molecular Weight345.40 g/mol
Exact Mass345.11
IUPAC NameN-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide
SMILESC[C@@H](Cc1ccccc1F)NC(=O)Cc1csc(-c2ncn[nH]2)n1
InChIInChI=1S/C16H16FN5OS/c1-10(6-11-4-2-3-5-13(11)17)20-14(23)7-12-8-24-16(21-12)15-18-9-19-22-15/h2-5,8-10H,6-7H2,1H3,(H,20,23)(H,18,19,22)/t10-/m0/s1
InChIKeyTXJXRSJPAISQHF-JTQLQIEISA-N
XLogP2.36
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(difluoromethyl)phenyl]-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide
CID 56784265
N-(2-ethyl-6-methylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide
CID 71979833
methyl 2-(naphthalen-2-ylmethyl)-3-[[2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetyl]amino]propanoate
CID 86945927
2-amino-N-[1-(2-fluorophenyl)propan-2-yl]acetamide;hydrochloride
CID 119289007
2-(2-amino-1,3-thiazol-4-yl)-N-[1-(2-fluorophenyl)ethyl]acetamide
CID 62798369
2-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-phenylpropanoic acid
CID 45369812
(2S)-2-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-4-methylpentanoic acid;methanethiol
CID 142371292
2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 75375495
N-[1-(2-fluorophenyl)propan-2-yl]acetamide
CID 91692173
2-[(2-fluorophenyl)methyl]-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 97319342
N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 27648148
2-(2-anilino-1,3-thiazol-4-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 27377769

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide (CID 95338902) is N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide is C[C@@H](Cc1ccccc1F)NC(=O)Cc1csc(-c2ncn[nH]2)n1.
What is the InChIKey of N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is TXJXRSJPAISQHF-JTQLQIEISA-N. The full InChI is InChI=1S/C16H16FN5OS/c1-10(6-11-4-2-3-5-13(11)17)20-14(23)7-12-8-24-16(21-12)15-18-9-19-22-15/h2-5,8-10H,6-7H2,1H3,(H,20,23)(H,18,19,22)/t10-/m0/s1.
What are the key properties of N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide?
N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 345.40 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 95338902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).