N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-4-phenylbutanamide

C14H16N4OS — CID 22582976

IUPACN-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)Nc1nnc2n1CCS2
InChIInChI=1S/C14H16N4OS/c19-12(8-4-7-11-5-2-1-3-6-11)15-13-16-17-14-18(13)9-10-20-14/h1-3,5-6H,4,7-10H2,(H,15,16,19)
InChIKeyVFUWAHUHAFPOSG-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.35
Rot. Bonds5

About N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-4-phenylbutanamide

N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-4-phenylbutanamide (PubChem CID 22582976) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-4-phenylbutanamide.

Molecular Properties

Compound NameN-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-4-phenylbutanamide
PubChem CID22582976
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC NameN-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)Nc1nnc2n1CCS2
InChIInChI=1S/C14H16N4OS/c19-12(8-4-7-11-5-2-1-3-6-11)15-13-16-17-14-18(13)9-10-20-14/h1-3,5-6H,4,7-10H2,(H,15,16,19)
InChIKeyVFUWAHUHAFPOSG-UHFFFAOYSA-N
XLogP2.35
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide
CID 38999513
methyl 5-(4-phenylbutanoylamino)thiadiazole-4-carboxylate
CID 29128414
N-(4-butylphenyl)-4-phenylbutanamide
CID 7313944
4-phenyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 2175175
4-phenyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)butanamide
CID 90544865
N-(6-methylsulfanylpyridazin-3-yl)-4-phenylbutanamide
CID 42172348
4-phenyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
CID 47044256
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-phenylbutanamide
CID 847079
4-phenyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]butanamide
CID 60521527
N-[2-(chloromethyl)phenyl]-4-phenylbutanamide
CID 114298062
N-[4-(4-oxopentyl)phenyl]-4-phenylbutanamide
CID 21335633
N-(4-carbamothioylphenyl)-4-phenylbutanamide
CID 28939713

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-4-phenylbutanamide?
The IUPAC name of N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-4-phenylbutanamide (CID 22582976) is N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-4-phenylbutanamide.
What is the SMILES notation for N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-4-phenylbutanamide?
The canonical SMILES for N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-4-phenylbutanamide is O=C(CCCc1ccccc1)Nc1nnc2n1CCS2.
What is the InChIKey of N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-4-phenylbutanamide?
The InChIKey is VFUWAHUHAFPOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c19-12(8-4-7-11-5-2-1-3-6-11)15-13-16-17-14-18(13)9-10-20-14/h1-3,5-6H,4,7-10H2,(H,15,16,19).
What are the key properties of N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-4-phenylbutanamide?
N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-4-phenylbutanamide has a molecular weight of 288.38 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-4-phenylbutanamide is sourced from PubChem (CID 22582976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).