N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-3,3,3-trifluoropropanamide

C9H8F3N3OS — CID 54922674

IUPACN-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-3,3,3-trifluoropropanamide
SMILESNCC#Cc1cnc(NC(=O)CC(F)(F)F)s1
InChIInChI=1S/C9H8F3N3OS/c10-9(11,12)4-7(16)15-8-14-5-6(17-8)2-1-3-13/h5H,3-4,13H2,(H,14,15,16)
InChIKeyQYGUVJMPIUSZOG-UHFFFAOYSA-N
MW263.24 g/mol
LogP1.34
Rot. Bonds2

About N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-3,3,3-trifluoropropanamide

N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-3,3,3-trifluoropropanamide (PubChem CID 54922674) has the molecular formula C9H8F3N3OS and a molecular weight of 263.24 g/mol. Its IUPAC name is N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-3,3,3-trifluoropropanamide
PubChem CID54922674
Molecular FormulaC9H8F3N3OS
Molecular Weight263.24 g/mol
Exact Mass263.03
IUPAC NameN-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-3,3,3-trifluoropropanamide
SMILESNCC#Cc1cnc(NC(=O)CC(F)(F)F)s1
InChIInChI=1S/C9H8F3N3OS/c10-9(11,12)4-7(16)15-8-14-5-6(17-8)2-1-3-13/h5H,3-4,13H2,(H,14,15,16)
InChIKeyQYGUVJMPIUSZOG-UHFFFAOYSA-N
XLogP1.34
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-Acetamido-5-methylthiazole
CID 298507
N-(5-cyanothiazol-2-yl)acetamide
CID 20544504
N-[2,2,2-trifluoro-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-(trifluoromethyl)ethyl]propanamide
CID 1208101
3-methyl-N-[2,2,2-trifluoro-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-(trifluoromethyl)ethyl]butanamide
CID 1717062
2,2,3,3,3-pentafluoro-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 17386520
N-(cyclopropylmethyl)-2-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]acetamide
CID 136535644
(1R)-2,2-difluoro-N-(5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 164633885
4-chloro-2,2,3,3,4,4-hexafluoro-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 4287941
N-(5-ethyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
CID 12954380
1,3-Dimethyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea
CID 19044103
2,4-dibromo-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide
CID 22909971
2,2,2-trifluoro-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 23115861

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-3,3,3-trifluoropropanamide (CID 54922674) is N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-3,3,3-trifluoropropanamide is NCC#Cc1cnc(NC(=O)CC(F)(F)F)s1.
What is the InChIKey of N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-3,3,3-trifluoropropanamide?
The InChIKey is QYGUVJMPIUSZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3OS/c10-9(11,12)4-7(16)15-8-14-5-6(17-8)2-1-3-13/h5H,3-4,13H2,(H,14,15,16).
What are the key properties of N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-3,3,3-trifluoropropanamide?
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-3,3,3-trifluoropropanamide has a molecular weight of 263.24 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 54922674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).