4-amino-N-(1,3-thiazol-2-ylmethyl)-1,2,5-oxadiazole-3-carboxamide

C7H7N5O2S — CID 62686742

IUPAC4-amino-N-(1,3-thiazol-2-ylmethyl)-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)NCc1nccs1
InChIInChI=1S/C7H7N5O2S/c8-6-5(11-14-12-6)7(13)10-3-4-9-1-2-15-4/h1-2H,3H2,(H2,8,12)(H,10,13)
InChIKeyPKIFABZWPOJYRL-UHFFFAOYSA-N
MW225.23 g/mol
LogP0.04
Rot. Bonds3

About 4-amino-N-(1,3-thiazol-2-ylmethyl)-1,2,5-oxadiazole-3-carboxamide

4-amino-N-(1,3-thiazol-2-ylmethyl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 62686742) has the molecular formula C7H7N5O2S and a molecular weight of 225.23 g/mol. Its IUPAC name is 4-amino-N-(1,3-thiazol-2-ylmethyl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1,3-thiazol-2-ylmethyl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID62686742
Molecular FormulaC7H7N5O2S
Molecular Weight225.23 g/mol
Exact Mass225.03
IUPAC Name4-amino-N-(1,3-thiazol-2-ylmethyl)-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)NCc1nccs1
InChIInChI=1S/C7H7N5O2S/c8-6-5(11-14-12-6)7(13)10-3-4-9-1-2-15-4/h1-2H,3H2,(H2,8,12)(H,10,13)
InChIKeyPKIFABZWPOJYRL-UHFFFAOYSA-N
XLogP0.04
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 75461199
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2,6-dihydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide
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2-amino-4-bromo-N-(1,3-thiazol-2-ylmethyl)benzamide
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4-amino-N-[(6-methyl-3-pyridinyl)methyl]-1,2,5-oxadiazole-3-carboxamide
CID 62997371
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CID 177244063
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CID 79023405
4-bromo-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 60773800
2-chloro-N-(1,3-thiazol-2-ylmethyl)furan-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,3-thiazol-2-ylmethyl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-(1,3-thiazol-2-ylmethyl)-1,2,5-oxadiazole-3-carboxamide (CID 62686742) is 4-amino-N-(1,3-thiazol-2-ylmethyl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(1,3-thiazol-2-ylmethyl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(1,3-thiazol-2-ylmethyl)-1,2,5-oxadiazole-3-carboxamide is Nc1nonc1C(=O)NCc1nccs1.
What is the InChIKey of 4-amino-N-(1,3-thiazol-2-ylmethyl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is PKIFABZWPOJYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O2S/c8-6-5(11-14-12-6)7(13)10-3-4-9-1-2-15-4/h1-2H,3H2,(H2,8,12)(H,10,13).
What are the key properties of 4-amino-N-(1,3-thiazol-2-ylmethyl)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-(1,3-thiazol-2-ylmethyl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 225.23 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,3-thiazol-2-ylmethyl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 62686742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).