4-(chloromethyl)-N-(furan-3-ylmethyl)-N-methyl-1,3-thiazol-2-amine

C10H11ClN2OS — CID 61422249

IUPAC4-(chloromethyl)-N-(furan-3-ylmethyl)-N-methyl-1,3-thiazol-2-amine
SMILESCN(Cc1ccoc1)c1nc(CCl)cs1
InChIInChI=1S/C10H11ClN2OS/c1-13(5-8-2-3-14-6-8)10-12-9(4-11)7-15-10/h2-3,6-7H,4-5H2,1H3
InChIKeyLDAOGDGGWLBFMN-UHFFFAOYSA-N
MW242.73 g/mol
LogP3.11
Rot. Bonds4

About 4-(chloromethyl)-N-(furan-3-ylmethyl)-N-methyl-1,3-thiazol-2-amine

4-(chloromethyl)-N-(furan-3-ylmethyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 61422249) has the molecular formula C10H11ClN2OS and a molecular weight of 242.73 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(furan-3-ylmethyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-(furan-3-ylmethyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID61422249
Molecular FormulaC10H11ClN2OS
Molecular Weight242.73 g/mol
Exact Mass242.03
IUPAC Name4-(chloromethyl)-N-(furan-3-ylmethyl)-N-methyl-1,3-thiazol-2-amine
SMILESCN(Cc1ccoc1)c1nc(CCl)cs1
InChIInChI=1S/C10H11ClN2OS/c1-13(5-8-2-3-14-6-8)10-12-9(4-11)7-15-10/h2-3,6-7H,4-5H2,1H3
InChIKeyLDAOGDGGWLBFMN-UHFFFAOYSA-N
XLogP3.11
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.73
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(furan-3-ylmethyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(chloromethyl)-N-(furan-3-ylmethyl)-N-methyl-1,3-thiazol-2-amine (CID 61422249) is 4-(chloromethyl)-N-(furan-3-ylmethyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(chloromethyl)-N-(furan-3-ylmethyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(chloromethyl)-N-(furan-3-ylmethyl)-N-methyl-1,3-thiazol-2-amine is CN(Cc1ccoc1)c1nc(CCl)cs1.
What is the InChIKey of 4-(chloromethyl)-N-(furan-3-ylmethyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is LDAOGDGGWLBFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2OS/c1-13(5-8-2-3-14-6-8)10-12-9(4-11)7-15-10/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 4-(chloromethyl)-N-(furan-3-ylmethyl)-N-methyl-1,3-thiazol-2-amine?
4-(chloromethyl)-N-(furan-3-ylmethyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 242.73 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(furan-3-ylmethyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 61422249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).