N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide

C11H15N5O2S — CID 70705029

IUPACN-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NC(C)c2nnc(N)s2)no1
InChIInChI=1S/C11H15N5O2S/c1-5(2)8-4-7(16-18-8)9(17)13-6(3)10-14-15-11(12)19-10/h4-6H,1-3H3,(H2,12,15)(H,13,17)
InChIKeyJOQUDZNELQQOJP-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.72
Rot. Bonds4

About N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide

N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 70705029) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID70705029
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC NameN-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NC(C)c2nnc(N)s2)no1
InChIInChI=1S/C11H15N5O2S/c1-5(2)8-4-7(16-18-8)9(17)13-6(3)10-14-15-11(12)19-10/h4-6H,1-3H3,(H2,12,15)(H,13,17)
InChIKeyJOQUDZNELQQOJP-UHFFFAOYSA-N
XLogP1.72
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 96571087
N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 70753415
N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]quinoxaline-2-carboxamide
CID 91786383
N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 59232393
N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 56757502
N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 97142637
N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1-methylindole-3-carboxamide
CID 91787907
N-(3-aminopropyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 110833086
N-[(2S)-1-amino-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 130166246
N-[(1R)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 97134548
N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 91828742
N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 124756756

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (CID 70705029) is N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is CC(C)c1cc(C(=O)NC(C)c2nnc(N)s2)no1.
What is the InChIKey of N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is JOQUDZNELQQOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-5(2)8-4-7(16-18-8)9(17)13-6(3)10-14-15-11(12)19-10/h4-6H,1-3H3,(H2,12,15)(H,13,17).
What are the key properties of N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 281.34 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 70705029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).