4-[[(3-methylthiophen-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one

C10H12N2OS2 — CID 106380259

IUPAC4-[[(3-methylthiophen-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCc1ccsc1CNCc1csc(=O)[nH]1
InChIInChI=1S/C10H12N2OS2/c1-7-2-3-14-9(7)5-11-4-8-6-15-10(13)12-8/h2-3,6,11H,4-5H2,1H3,(H,12,13)
InChIKeyUQIRNARHGGITDR-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.10
Rot. Bonds4

About 4-[[(3-methylthiophen-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one

4-[[(3-methylthiophen-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380259) has the molecular formula C10H12N2OS2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-[[(3-methylthiophen-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(3-methylthiophen-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106380259
Molecular FormulaC10H12N2OS2
Molecular Weight240.35 g/mol
Exact Mass240.04
IUPAC Name4-[[(3-methylthiophen-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCc1ccsc1CNCc1csc(=O)[nH]1
InChIInChI=1S/C10H12N2OS2/c1-7-2-3-14-9(7)5-11-4-8-6-15-10(13)12-8/h2-3,6,11H,4-5H2,1H3,(H,12,13)
InChIKeyUQIRNARHGGITDR-UHFFFAOYSA-N
XLogP2.10
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(5-fluoro-2-methylphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380238
2-[(3-methylthiophen-2-yl)methylamino]acetaldehyde
CID 115223017
N-[(3-methylthiophen-2-yl)methyl]-1-thiophen-3-ylmethanamine
CID 60744110
N-[4-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]phenyl]acetamide
CID 106379644
4-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380837
4-[[(3,5-difluorophenyl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 114181240
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(3-methylthiophen-2-yl)methanamine
CID 115655831
2-[5-[[(3-methylthiophen-2-yl)methylamino]methyl]thiophen-2-yl]acetic acid
CID 82894827
4-[[(3-aminophenyl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381742
4-[[(2,5-dichlorophenyl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106379948
4-[(1,3-thiazol-4-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380405
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106383944

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-methylthiophen-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(3-methylthiophen-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one (CID 106380259) is 4-[[(3-methylthiophen-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(3-methylthiophen-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(3-methylthiophen-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one is Cc1ccsc1CNCc1csc(=O)[nH]1.
What is the InChIKey of 4-[[(3-methylthiophen-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is UQIRNARHGGITDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS2/c1-7-2-3-14-9(7)5-11-4-8-6-15-10(13)12-8/h2-3,6,11H,4-5H2,1H3,(H,12,13).
What are the key properties of 4-[[(3-methylthiophen-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[(3-methylthiophen-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 240.35 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-methylthiophen-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).