4-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]oxolane-3-carboxamide

C11H17N3O2S — CID 114140510

IUPAC4-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]oxolane-3-carboxamide
SMILESCc1nc(CCNC(=O)C2COCC2N)cs1
InChIInChI=1S/C11H17N3O2S/c1-7-14-8(6-17-7)2-3-13-11(15)9-4-16-5-10(9)12/h6,9-10H,2-5,12H2,1H3,(H,13,15)
InChIKeyULQUTGUMWLAUDI-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.08
Rot. Bonds4

About 4-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]oxolane-3-carboxamide

4-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]oxolane-3-carboxamide (PubChem CID 114140510) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]oxolane-3-carboxamide
PubChem CID114140510
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name4-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]oxolane-3-carboxamide
SMILESCc1nc(CCNC(=O)C2COCC2N)cs1
InChIInChI=1S/C11H17N3O2S/c1-7-14-8(6-17-7)2-3-13-11(15)9-4-16-5-10(9)12/h6,9-10H,2-5,12H2,1H3,(H,13,15)
InChIKeyULQUTGUMWLAUDI-UHFFFAOYSA-N
XLogP0.08
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 103790265
4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106041455
4-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide
CID 66235264
4-amino-N-[2-(1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide
CID 66237908
cis-(1R,2S)-4-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106032480
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 77059141
(2R,3S)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 106032460
2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 83620150
2-amino-2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 83620151
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 103629888
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119841465
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]oxolane-3-carboxamide (CID 114140510) is 4-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]oxolane-3-carboxamide is Cc1nc(CCNC(=O)C2COCC2N)cs1.
What is the InChIKey of 4-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]oxolane-3-carboxamide?
The InChIKey is ULQUTGUMWLAUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-7-14-8(6-17-7)2-3-13-11(15)9-4-16-5-10(9)12/h6,9-10H,2-5,12H2,1H3,(H,13,15).
What are the key properties of 4-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]oxolane-3-carboxamide?
4-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]oxolane-3-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 114140510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).