4-[[furan-2-ylmethyl(methyl)amino]methyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine

C17H19N3OS — CID 18083043

IUPAC4-[[furan-2-ylmethyl(methyl)amino]methyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(CN(C)Cc3ccco3)cs2)cc1
InChIInChI=1S/C17H19N3OS/c1-13-5-7-14(8-6-13)18-17-19-15(12-22-17)10-20(2)11-16-4-3-9-21-16/h3-9,12H,10-11H2,1-2H3,(H,18,19)
InChIKeySROWLKFUYCOQAP-UHFFFAOYSA-N
MW313.43 g/mol
LogP4.42
Rot. Bonds6

About 4-[[furan-2-ylmethyl(methyl)amino]methyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine

4-[[furan-2-ylmethyl(methyl)amino]methyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 18083043) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 4-[[furan-2-ylmethyl(methyl)amino]methyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[furan-2-ylmethyl(methyl)amino]methyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
PubChem CID18083043
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name4-[[furan-2-ylmethyl(methyl)amino]methyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(CN(C)Cc3ccco3)cs2)cc1
InChIInChI=1S/C17H19N3OS/c1-13-5-7-14(8-6-13)18-17-19-15(12-22-17)10-20(2)11-16-4-3-9-21-16/h3-9,12H,10-11H2,1-2H3,(H,18,19)
InChIKeySROWLKFUYCOQAP-UHFFFAOYSA-N
XLogP4.42
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-N-phenyl-1,3-thiazol-2-amine
CID 71883940
2-[methyl-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl]amino]-N-propylacetamide
CID 18083023
4-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 7161395
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206
1-(furan-2-yl)-N-methyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]methanamine
CID 56665525
2-(2-anilino-1,3-thiazol-4-yl)-N-(furan-2-ylmethyl)acetamide
CID 27377722
2-(2,4-dimethylanilino)-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 46388424
2-[cyclopropyl-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl]amino]propanoic acid
CID 122100477
2-anilino-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46136486
4-[(4-chlorophenyl)sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 7892282
2-[4-[[furan-2-ylmethyl-[[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]methyl]amino]methyl]phenyl]sulfanyl-2-methylpropanoic acid
CID 59823740
2-fluoro-N-[4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 55719710

Frequently Asked Questions

What is the IUPAC name of 4-[[furan-2-ylmethyl(methyl)amino]methyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[[furan-2-ylmethyl(methyl)amino]methyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine (CID 18083043) is 4-[[furan-2-ylmethyl(methyl)amino]methyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[furan-2-ylmethyl(methyl)amino]methyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[furan-2-ylmethyl(methyl)amino]methyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine is Cc1ccc(Nc2nc(CN(C)Cc3ccco3)cs2)cc1.
What is the InChIKey of 4-[[furan-2-ylmethyl(methyl)amino]methyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is SROWLKFUYCOQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-13-5-7-14(8-6-13)18-17-19-15(12-22-17)10-20(2)11-16-4-3-9-21-16/h3-9,12H,10-11H2,1-2H3,(H,18,19).
What are the key properties of 4-[[furan-2-ylmethyl(methyl)amino]methyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine?
4-[[furan-2-ylmethyl(methyl)amino]methyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 313.43 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[furan-2-ylmethyl(methyl)amino]methyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 18083043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).