4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine

C13H13N3OS2 — CID 646758

IUPAC4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine
SMILESCC1=C(SC(=N1)C)C2=CSC(=N2)NCC3=CC=CO3
InChIInChI=1S/C13H13N3OS2/c1-8-12(19-9(2)15-8)11-7-18-13(16-11)14-6-10-4-3-5-17-10/h3-5,7H,6H2,1-2H3,(H,14,16)
InChIKeyRWSCDFSCSDPGCF-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.40
Rot. Bonds4

About 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine

4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 646758) has the molecular formula C13H13N3OS2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine
PubChem CID646758
Molecular FormulaC13H13N3OS2
Molecular Weight291.40 g/mol
Exact Mass291.05
IUPAC Name4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine
SMILESCC1=C(SC(=N1)C)C2=CSC(=N2)NCC3=CC=CO3
InChIInChI=1S/C13H13N3OS2/c1-8-12(19-9(2)15-8)11-7-18-13(16-11)14-6-10-4-3-5-17-10/h3-5,7H,6H2,1-2H3,(H,14,16)
InChIKeyRWSCDFSCSDPGCF-UHFFFAOYSA-N
XLogP3.40
TPSA107.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity308

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazole_amine_C(3)', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 944851
1-(furan-2-ylmethyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 5094501
N-(4,5-Dimethyl-thiazol-2-yl)-2-(4-ethyl-5-furan-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 649166
N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 786020
N-(3-{2-[(Furan-2-ylmethyl)-amino]-thiazol-4-yl}-phenyl)-acetamide
CID 647705
N-{2-[(Furan-2-ylmethyl)-amino]-4'-methyl-[4,5']bithiazolyl-2'-yl}-benzamide
CID 655046
N-(furan-2-ylmethyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 883342
N-(4-{2-[(Furan-2-ylmethyl)-amino]-thiazol-4-yl}-phenyl)-acetamide
CID 972496
N-[4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 2458702
N-(4-thiophen-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 2649357
N-(2-furylmethyl)-4-(4-pyridinyl)-1,3-thiazol-2-amine
CID 2901964
N-[5-[2-(2-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide
CID 11958450

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine (CID 646758) is 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine is CC1=C(SC(=N1)C)C2=CSC(=N2)NCC3=CC=CO3.
What is the InChIKey of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is RWSCDFSCSDPGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS2/c1-8-12(19-9(2)15-8)11-7-18-13(16-11)14-6-10-4-3-5-17-10/h3-5,7H,6H2,1-2H3,(H,14,16).
What are the key properties of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine?
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 291.40 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 646758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).