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

C11H17N3O2S — CID 66235264

IUPAC4-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide
SMILESCc1nc(CN(C)C(=O)C2COCC2N)cs1
InChIInChI=1S/C11H17N3O2S/c1-7-13-8(6-17-7)3-14(2)11(15)9-4-16-5-10(9)12/h6,9-10H,3-5,12H2,1-2H3
InChIKeyQMWWGJDMMAVYJE-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.38
Rot. Bonds3

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

4-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide (PubChem CID 66235264) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide
PubChem CID66235264
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name4-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide
SMILESCc1nc(CN(C)C(=O)C2COCC2N)cs1
InChIInChI=1S/C11H17N3O2S/c1-7-13-8(6-17-7)3-14(2)11(15)9-4-16-5-10(9)12/h6,9-10H,3-5,12H2,1-2H3
InChIKeyQMWWGJDMMAVYJE-UHFFFAOYSA-N
XLogP0.38
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]oxolane-3-carboxamide
CID 114140510
(3S,4S)-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 98540715
5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 102688383
3-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119841605
4-amino-N-ethyl-N-methyloxolane-3-carboxamide
CID 66238406
3-amino-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide;dihydrochloride
CID 120502763
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide;dihydrochloride
CID 119841640
1-[4-(methylamino)oxolan-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 116561494
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 86853856
2-(2-methyl-1,3-thiazol-4-yl)-1-(3-oxabicyclo[3.1.0]hexan-6-yl)ethanone
CID 130965050
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide
CID 107436138
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
CID 42609218

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide (CID 66235264) is 4-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide is Cc1nc(CN(C)C(=O)C2COCC2N)cs1.
What is the InChIKey of 4-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide?
The InChIKey is QMWWGJDMMAVYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-7-13-8(6-17-7)3-14(2)11(15)9-4-16-5-10(9)12/h6,9-10H,3-5,12H2,1-2H3.
What are the key properties of 4-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide?
4-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 66235264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).