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

C9H13N3O2S — CID 66236068

IUPAC4-amino-N-(1,3-thiazol-2-ylmethyl)oxolane-3-carboxamide
SMILESNC1COCC1C(=O)NCc1nccs1
InChIInChI=1S/C9H13N3O2S/c10-7-5-14-4-6(7)9(13)12-3-8-11-1-2-15-8/h1-2,6-7H,3-5,10H2,(H,12,13)
InChIKeyWDGKIZVHHFXHGQ-UHFFFAOYSA-N
MW227.29 g/mol
LogP-0.27
Rot. Bonds3

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

4-amino-N-(1,3-thiazol-2-ylmethyl)oxolane-3-carboxamide (PubChem CID 66236068) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is 4-amino-N-(1,3-thiazol-2-ylmethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1,3-thiazol-2-ylmethyl)oxolane-3-carboxamide
PubChem CID66236068
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name4-amino-N-(1,3-thiazol-2-ylmethyl)oxolane-3-carboxamide
SMILESNC1COCC1C(=O)NCc1nccs1
InChIInChI=1S/C9H13N3O2S/c10-7-5-14-4-6(7)9(13)12-3-8-11-1-2-15-8/h1-2,6-7H,3-5,10H2,(H,12,13)
InChIKeyWDGKIZVHHFXHGQ-UHFFFAOYSA-N
XLogP-0.27
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-2-(3-morpholinyl)-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 56892393
Oxolan-3-yl-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 23856455
2-amino-4-methoxy-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 62476445
N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide
CID 63005346
2-amino-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide
CID 63240244
2-amino-4-methoxy-N-[1-(1,3-thiazol-2-yl)ethyl]butanamide
CID 64482725
2-amino-4-methoxy-N-[1-(1,3-thiazol-2-yl)propyl]butanamide
CID 64487474
3-amino-N-[2-(1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide
CID 64892403
3-amino-N-[1-(1,3-thiazol-2-yl)propyl]oxolane-3-carboxamide
CID 64892823
3-amino-N-[1-(1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide
CID 64892824
3-amino-N-(1,3-thiazol-2-ylmethyl)oxolane-3-carboxamide
CID 64893614
4-amino-N-(1,3-thiazol-4-ylmethyl)oxolane-3-carboxamide
CID 66235281

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,3-thiazol-2-ylmethyl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(1,3-thiazol-2-ylmethyl)oxolane-3-carboxamide (CID 66236068) is 4-amino-N-(1,3-thiazol-2-ylmethyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(1,3-thiazol-2-ylmethyl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(1,3-thiazol-2-ylmethyl)oxolane-3-carboxamide is NC1COCC1C(=O)NCc1nccs1.
What is the InChIKey of 4-amino-N-(1,3-thiazol-2-ylmethyl)oxolane-3-carboxamide?
The InChIKey is WDGKIZVHHFXHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c10-7-5-14-4-6(7)9(13)12-3-8-11-1-2-15-8/h1-2,6-7H,3-5,10H2,(H,12,13).
What are the key properties of 4-amino-N-(1,3-thiazol-2-ylmethyl)oxolane-3-carboxamide?
4-amino-N-(1,3-thiazol-2-ylmethyl)oxolane-3-carboxamide has a molecular weight of 227.29 g/mol, XLogP of -0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,3-thiazol-2-ylmethyl)oxolane-3-carboxamide is sourced from PubChem (CID 66236068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).