2-methyl-5-(oxetan-3-ylamino)-1,3-thiazole-4-carboxamide

C8H11N3O2S — CID 170575190

IUPAC2-methyl-5-(oxetan-3-ylamino)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(N)=O)c(NC2COC2)s1
InChIInChI=1S/C8H11N3O2S/c1-4-10-6(7(9)12)8(14-4)11-5-2-13-3-5/h5,11H,2-3H2,1H3,(H2,9,12)
InChIKeyNYLPENHDSBWWNK-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.36
Rot. Bonds3

About 2-methyl-5-(oxetan-3-ylamino)-1,3-thiazole-4-carboxamide

2-methyl-5-(oxetan-3-ylamino)-1,3-thiazole-4-carboxamide (PubChem CID 170575190) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is 2-methyl-5-(oxetan-3-ylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-5-(oxetan-3-ylamino)-1,3-thiazole-4-carboxamide
PubChem CID170575190
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name2-methyl-5-(oxetan-3-ylamino)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(N)=O)c(NC2COC2)s1
InChIInChI=1S/C8H11N3O2S/c1-4-10-6(7(9)12)8(14-4)11-5-2-13-3-5/h5,11H,2-3H2,1H3,(H2,9,12)
InChIKeyNYLPENHDSBWWNK-UHFFFAOYSA-N
XLogP0.36
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(oxetan-3-ylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-methyl-5-(oxetan-3-ylamino)-1,3-thiazole-4-carboxamide (CID 170575190) is 2-methyl-5-(oxetan-3-ylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-methyl-5-(oxetan-3-ylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-methyl-5-(oxetan-3-ylamino)-1,3-thiazole-4-carboxamide is Cc1nc(C(N)=O)c(NC2COC2)s1.
What is the InChIKey of 2-methyl-5-(oxetan-3-ylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is NYLPENHDSBWWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c1-4-10-6(7(9)12)8(14-4)11-5-2-13-3-5/h5,11H,2-3H2,1H3,(H2,9,12).
What are the key properties of 2-methyl-5-(oxetan-3-ylamino)-1,3-thiazole-4-carboxamide?
2-methyl-5-(oxetan-3-ylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 213.26 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(oxetan-3-ylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 170575190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).