2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-[1-(2-fluorophenyl)cyclopropyl]acetamide

C17H20FN3OS — CID 110450787

IUPAC2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-[1-(2-fluorophenyl)cyclopropyl]acetamide
SMILESNCCCc1nc(CC(=O)NC2(c3ccccc3F)CC2)cs1
InChIInChI=1S/C17H20FN3OS/c18-14-5-2-1-4-13(14)17(7-8-17)21-15(22)10-12-11-23-16(20-12)6-3-9-19/h1-2,4-5,11H,3,6-10,19H2,(H,21,22)
InChIKeySODPCETWDDHSST-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.52
Rot. Bonds7

About 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-[1-(2-fluorophenyl)cyclopropyl]acetamide

2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-[1-(2-fluorophenyl)cyclopropyl]acetamide (PubChem CID 110450787) has the molecular formula C17H20FN3OS and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-[1-(2-fluorophenyl)cyclopropyl]acetamide.

Molecular Properties

Compound Name2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-[1-(2-fluorophenyl)cyclopropyl]acetamide
PubChem CID110450787
Molecular FormulaC17H20FN3OS
Molecular Weight333.43 g/mol
Exact Mass333.13
IUPAC Name2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-[1-(2-fluorophenyl)cyclopropyl]acetamide
SMILESNCCCc1nc(CC(=O)NC2(c3ccccc3F)CC2)cs1
InChIInChI=1S/C17H20FN3OS/c18-14-5-2-1-4-13(14)17(7-8-17)21-15(22)10-12-11-23-16(20-12)6-3-9-19/h1-2,4-5,11H,3,6-10,19H2,(H,21,22)
InChIKeySODPCETWDDHSST-UHFFFAOYSA-N
XLogP2.52
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(1-phenylcyclopropyl)acetamide
CID 82547525
7-amino-N-[1-(2-fluorophenyl)cyclopropyl]heptanamide;hydrochloride
CID 119796456
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-hydroxyphenyl)acetamide
CID 82547722
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 110450657
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-hydroxycyclohexyl)acetamide
CID 82547664
N-[1-(2-fluorophenyl)cyclopropyl]propanamide
CID 110477459
1-(3-aminopropyl)-3-[1-(2-fluorophenyl)cyclopropyl]urea
CID 110490666
N-[1-(2-fluorophenyl)cyclopropyl]-2-pyridin-3-ylacetamide
CID 110468072
4-[[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 82547800
4-[[1-(2-fluorophenyl)cyclopropyl]amino]-4-oxobutanoic acid
CID 110465781
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(3-cyanophenyl)acetamide
CID 82547638
methyl 4-[[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 110450768

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-[1-(2-fluorophenyl)cyclopropyl]acetamide?
The IUPAC name of 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-[1-(2-fluorophenyl)cyclopropyl]acetamide (CID 110450787) is 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-[1-(2-fluorophenyl)cyclopropyl]acetamide.
What is the SMILES notation for 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-[1-(2-fluorophenyl)cyclopropyl]acetamide?
The canonical SMILES for 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-[1-(2-fluorophenyl)cyclopropyl]acetamide is NCCCc1nc(CC(=O)NC2(c3ccccc3F)CC2)cs1.
What is the InChIKey of 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-[1-(2-fluorophenyl)cyclopropyl]acetamide?
The InChIKey is SODPCETWDDHSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3OS/c18-14-5-2-1-4-13(14)17(7-8-17)21-15(22)10-12-11-23-16(20-12)6-3-9-19/h1-2,4-5,11H,3,6-10,19H2,(H,21,22).
What are the key properties of 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-[1-(2-fluorophenyl)cyclopropyl]acetamide?
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-[1-(2-fluorophenyl)cyclopropyl]acetamide has a molecular weight of 333.43 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-[1-(2-fluorophenyl)cyclopropyl]acetamide is sourced from PubChem (CID 110450787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).