N-methyl-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazole-4-carboxamide

C11H12N2O2S — CID 63049964

IUPACN-methyl-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1occc1CN(C)C(=O)c1cscn1
InChIInChI=1S/C11H12N2O2S/c1-8-9(3-4-15-8)5-13(2)11(14)10-6-16-7-12-10/h3-4,6-7H,5H2,1-2H3
InChIKeyLKIXVWYLTFJJFF-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.32
Rot. Bonds3

About N-methyl-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazole-4-carboxamide

N-methyl-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 63049964) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is N-methyl-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID63049964
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC NameN-methyl-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1occc1CN(C)C(=O)c1cscn1
InChIInChI=1S/C11H12N2O2S/c1-8-9(3-4-15-8)5-13(2)11(14)10-6-16-7-12-10/h3-4,6-7H,5H2,1-2H3
InChIKeyLKIXVWYLTFJJFF-UHFFFAOYSA-N
XLogP2.32
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 115910403
5-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrazine-2-carboxamide
CID 107253049
N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 63048529
6-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridine-2-carboxamide
CID 55052208
N-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 63050087
N-[(4-aminophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 55144453
4,5-dibromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-carboxamide
CID 47379906
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 55143239
6-bromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridine-3-carboxamide
CID 66463145
2-[4-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]triazol-1-yl]acetic acid
CID 66288132
N-[(3-hydroxyphenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 63049252
2-(dimethylamino)-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridine-3-carboxamide
CID 56819277

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-methyl-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazole-4-carboxamide (CID 63049964) is N-methyl-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-methyl-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazole-4-carboxamide is Cc1occc1CN(C)C(=O)c1cscn1.
What is the InChIKey of N-methyl-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is LKIXVWYLTFJJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-8-9(3-4-15-8)5-13(2)11(14)10-6-16-7-12-10/h3-4,6-7H,5H2,1-2H3.
What are the key properties of N-methyl-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazole-4-carboxamide?
N-methyl-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 236.30 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63049964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).