5-[3-(2-amino-1,3-thiazol-4-yl)propyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide

C12H15N5O2S — CID 102791029

IUPAC5-[3-(2-amino-1,3-thiazol-4-yl)propyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
SMILESNc1nc(CCCc2nc(C(=O)NC3CC3)no2)cs1
InChIInChI=1S/C12H15N5O2S/c13-12-15-8(6-20-12)2-1-3-9-16-10(17-19-9)11(18)14-7-4-5-7/h6-7H,1-5H2,(H2,13,15)(H,14,18)
InChIKeyYEQOALHCKRPSSA-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.18
Rot. Bonds6

About 5-[3-(2-amino-1,3-thiazol-4-yl)propyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide

5-[3-(2-amino-1,3-thiazol-4-yl)propyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102791029) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 5-[3-(2-amino-1,3-thiazol-4-yl)propyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[3-(2-amino-1,3-thiazol-4-yl)propyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID102791029
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC Name5-[3-(2-amino-1,3-thiazol-4-yl)propyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
SMILESNc1nc(CCCc2nc(C(=O)NC3CC3)no2)cs1
InChIInChI=1S/C12H15N5O2S/c13-12-15-8(6-20-12)2-1-3-9-16-10(17-19-9)11(18)14-7-4-5-7/h6-7H,1-5H2,(H2,13,15)(H,14,18)
InChIKeyYEQOALHCKRPSSA-UHFFFAOYSA-N
XLogP1.18
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[3-(2-amino-1,3-thiazol-4-yl)propyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 102790693
4-[3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)propyl]-1,3-thiazol-2-amine
CID 80656600
5-(aminooxymethyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 102790953
3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-cyclopropylpropanamide
CID 79401067
5-[(4-aminophenoxy)methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 102790931
4-[3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
CID 80655552
4-[3-[3-(1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
CID 80655978
2-(2-amino-1,3-thiazol-4-yl)-N-(4-hydroxycyclohexyl)acetamide
CID 62797099
4-[3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
CID 80655651
4-[3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
CID 116632721
4-[3-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
CID 103594743
N-cyclopropyl-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole-3-carboxamide
CID 102790886

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-amino-1,3-thiazol-4-yl)propyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[3-(2-amino-1,3-thiazol-4-yl)propyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide (CID 102791029) is 5-[3-(2-amino-1,3-thiazol-4-yl)propyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[3-(2-amino-1,3-thiazol-4-yl)propyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[3-(2-amino-1,3-thiazol-4-yl)propyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide is Nc1nc(CCCc2nc(C(=O)NC3CC3)no2)cs1.
What is the InChIKey of 5-[3-(2-amino-1,3-thiazol-4-yl)propyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is YEQOALHCKRPSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c13-12-15-8(6-20-12)2-1-3-9-16-10(17-19-9)11(18)14-7-4-5-7/h6-7H,1-5H2,(H2,13,15)(H,14,18).
What are the key properties of 5-[3-(2-amino-1,3-thiazol-4-yl)propyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
5-[3-(2-amino-1,3-thiazol-4-yl)propyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 293.35 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-amino-1,3-thiazol-4-yl)propyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102791029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).