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

C11H15N5O2S — CID 96571087

IUPACN-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)N[C@@H](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)/t6-/m0/s1
InChIKeyJOQUDZNELQQOJP-LURJTMIESA-N
MW281.34 g/mol
LogP1.72
Rot. Bonds4

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

N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 96571087) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID96571087
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC NameN-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)N[C@@H](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)/t6-/m0/s1
InChIKeyJOQUDZNELQQOJP-LURJTMIESA-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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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (CID 96571087) is N-[(1S)-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-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1S)-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)N[C@@H](C)c2nnc(N)s2)no1.
What is the InChIKey of N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is JOQUDZNELQQOJP-LURJTMIESA-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)/t6-/m0/s1.
What are the key properties of N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
N-[(1S)-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-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 96571087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).