4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-N-phenyl-1,3-thiazol-2-amine

C16H18N4S2 — CID 71883940

IUPAC4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-N-phenyl-1,3-thiazol-2-amine
SMILESCc1nc(CN(C)Cc2csc(Nc3ccccc3)n2)cs1
InChIInChI=1S/C16H18N4S2/c1-12-17-14(10-21-12)8-20(2)9-15-11-22-16(19-15)18-13-6-4-3-5-7-13/h3-7,10-11H,8-9H2,1-2H3,(H,18,19)
InChIKeyNSYVFCRRCKPKEJ-UHFFFAOYSA-N
MW330.48 g/mol
LogP4.28
Rot. Bonds6

About 4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-N-phenyl-1,3-thiazol-2-amine

4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-N-phenyl-1,3-thiazol-2-amine (PubChem CID 71883940) has the molecular formula C16H18N4S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-N-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-N-phenyl-1,3-thiazol-2-amine
PubChem CID71883940
Molecular FormulaC16H18N4S2
Molecular Weight330.48 g/mol
Exact Mass330.10
IUPAC Name4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-N-phenyl-1,3-thiazol-2-amine
SMILESCc1nc(CN(C)Cc2csc(Nc3ccccc3)n2)cs1
InChIInChI=1S/C16H18N4S2/c1-12-17-14(10-21-12)8-20(2)9-15-11-22-16(19-15)18-13-6-4-3-5-7-13/h3-7,10-11H,8-9H2,1-2H3,(H,18,19)
InChIKeyNSYVFCRRCKPKEJ-UHFFFAOYSA-N
XLogP4.28
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-N-phenyl-1,3-thiazol-2-amine with MolForge

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Related Compounds

4-[[furan-2-ylmethyl(methyl)amino]methyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 18083043
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CID 51254106
4-butyl-N-phenyl-1,3-thiazol-2-amine
CID 141316457
1-N-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylpropane-1,2-diamine
CID 62487917
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CID 86812794
2-[(2-anilino-1,3-thiazol-4-yl)methyl-cyclopropylamino]ethanol
CID 56813292
2-[methyl-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl]amino]-N-propylacetamide
CID 18083023
2-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethyl]benzoic acid
CID 104548760
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CID 62209431
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 86855991
potassium trifluoro-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]boranuide
CID 63704903
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
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Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-N-phenyl-1,3-thiazol-2-amine?
The IUPAC name of 4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-N-phenyl-1,3-thiazol-2-amine (CID 71883940) is 4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-N-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-N-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-N-phenyl-1,3-thiazol-2-amine is Cc1nc(CN(C)Cc2csc(Nc3ccccc3)n2)cs1.
What is the InChIKey of 4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-N-phenyl-1,3-thiazol-2-amine?
The InChIKey is NSYVFCRRCKPKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S2/c1-12-17-14(10-21-12)8-20(2)9-15-11-22-16(19-15)18-13-6-4-3-5-7-13/h3-7,10-11H,8-9H2,1-2H3,(H,18,19).
What are the key properties of 4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-N-phenyl-1,3-thiazol-2-amine?
4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-N-phenyl-1,3-thiazol-2-amine has a molecular weight of 330.48 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-N-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 71883940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).