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

C15H16N4OS — CID 82547638

IUPAC2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(3-cyanophenyl)acetamide
SMILESN#Cc1cccc(NC(=O)Cc2csc(CCCN)n2)c1
InChIInChI=1S/C15H16N4OS/c16-6-2-5-15-19-13(10-21-15)8-14(20)18-12-4-1-3-11(7-12)9-17/h1,3-4,7,10H,2,5-6,8,16H2,(H,18,20)
InChIKeyFGZAZYWTASSUFC-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.09
Rot. Bonds6

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

2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(3-cyanophenyl)acetamide (PubChem CID 82547638) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(3-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(3-cyanophenyl)acetamide
PubChem CID82547638
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(3-cyanophenyl)acetamide
SMILESN#Cc1cccc(NC(=O)Cc2csc(CCCN)n2)c1
InChIInChI=1S/C15H16N4OS/c16-6-2-5-15-19-13(10-21-15)8-14(20)18-12-4-1-3-11(7-12)9-17/h1,3-4,7,10H,2,5-6,8,16H2,(H,18,20)
InChIKeyFGZAZYWTASSUFC-UHFFFAOYSA-N
XLogP2.09
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanophenyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389703
N-(3-cyanophenyl)-2-[2-(methoxymethyl)-1,3-thiazol-4-yl]acetamide
CID 110374780
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-hydroxyphenyl)acetamide
CID 82547722
N-(3-cyanophenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 8927230
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(3H-benzimidazol-5-yl)acetamide
CID 110450633
2-[2-[(3-cyanoanilino)methyl]-1,3-thiazol-4-yl]acetic acid
CID 82124046
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 82547668
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 110450657
N-(3-cyanophenyl)-2-phenylacetamide
CID 729975
2-(4-aminophenyl)-N-(3-cyanophenyl)acetamide
CID 16782050
2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 110389693
N-(3-cyanophenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 110428502

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(3-cyanophenyl)acetamide?
The IUPAC name of 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(3-cyanophenyl)acetamide (CID 82547638) is 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(3-cyanophenyl)acetamide.
What is the SMILES notation for 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(3-cyanophenyl)acetamide?
The canonical SMILES for 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(3-cyanophenyl)acetamide is N#Cc1cccc(NC(=O)Cc2csc(CCCN)n2)c1.
What is the InChIKey of 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(3-cyanophenyl)acetamide?
The InChIKey is FGZAZYWTASSUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c16-6-2-5-15-19-13(10-21-15)8-14(20)18-12-4-1-3-11(7-12)9-17/h1,3-4,7,10H,2,5-6,8,16H2,(H,18,20).
What are the key properties of 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(3-cyanophenyl)acetamide?
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(3-cyanophenyl)acetamide has a molecular weight of 300.39 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(3-cyanophenyl)acetamide is sourced from PubChem (CID 82547638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).