N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-5-propyl-1,2-oxazole-3-carboxamide

C13H15N5O2S — CID 70753994

IUPACN-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)NC(C)c2cn3ncsc3n2)no1
InChIInChI=1S/C13H15N5O2S/c1-3-4-9-5-10(17-20-9)12(19)15-8(2)11-6-18-13(16-11)21-7-14-18/h5-8H,3-4H2,1-2H3,(H,15,19)
InChIKeyGKYPEKVZDDTZKV-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.22
Rot. Bonds5

About N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-5-propyl-1,2-oxazole-3-carboxamide

N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-5-propyl-1,2-oxazole-3-carboxamide (PubChem CID 70753994) has the molecular formula C13H15N5O2S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-5-propyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-5-propyl-1,2-oxazole-3-carboxamide
PubChem CID70753994
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC NameN-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)NC(C)c2cn3ncsc3n2)no1
InChIInChI=1S/C13H15N5O2S/c1-3-4-9-5-10(17-20-9)12(19)15-8(2)11-6-18-13(16-11)21-7-14-18/h5-8H,3-4H2,1-2H3,(H,15,19)
InChIKeyGKYPEKVZDDTZKV-UHFFFAOYSA-N
XLogP2.22
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1R)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 97146678
(E)-3-[4-(hydroxymethyl)thiophen-2-yl]-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)prop-2-enamide
CID 131894443
1-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)urea
CID 74230786
3-(4-chlorophenyl)-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1H-pyrazole-5-carboxamide
CID 91838300
N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1-methylindole-3-carboxamide
CID 91765837
N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-2-oxo-1H-quinazoline-4-carboxamide
CID 91772701
methyl 2-imidazo[2,1-b][1,3,4]thiadiazol-6-ylpropanoate
CID 67420161
1-(3-hydroxypropyl)-3-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1-[(5-methylthiophen-2-yl)methyl]urea
CID 122565253
3-methoxy-2-[(5-propyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
CID 72870049
N-[(1S)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 97145627
1-ethyl-3-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1-[2-(3-methylphenoxy)ethyl]urea
CID 122558681
N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-5-propyl-1,2-oxazole-3-carboxamide
CID 96575078

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-5-propyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-5-propyl-1,2-oxazole-3-carboxamide (CID 70753994) is N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-5-propyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-5-propyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-5-propyl-1,2-oxazole-3-carboxamide is CCCc1cc(C(=O)NC(C)c2cn3ncsc3n2)no1.
What is the InChIKey of N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-5-propyl-1,2-oxazole-3-carboxamide?
The InChIKey is GKYPEKVZDDTZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S/c1-3-4-9-5-10(17-20-9)12(19)15-8(2)11-6-18-13(16-11)21-7-14-18/h5-8H,3-4H2,1-2H3,(H,15,19).
What are the key properties of N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-5-propyl-1,2-oxazole-3-carboxamide?
N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-5-propyl-1,2-oxazole-3-carboxamide has a molecular weight of 305.36 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-5-propyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 70753994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).