4-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine

C14H14N4S2 — CID 3598868

IUPAC4-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine
SMILESCn1ccnc1SCc1csc(Nc2ccccc2)n1
InChIInChI=1S/C14H14N4S2/c1-18-8-7-15-14(18)20-10-12-9-19-13(17-12)16-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,16,17)
InChIKeyORFIIJJCLQWHDS-UHFFFAOYSA-N
MW302.43 g/mol
LogP3.91
Rot. Bonds5

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

4-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine (PubChem CID 3598868) has the molecular formula C14H14N4S2 and a molecular weight of 302.43 g/mol. Its IUPAC name is 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine
PubChem CID3598868
Molecular FormulaC14H14N4S2
Molecular Weight302.43 g/mol
Exact Mass302.07
IUPAC Name4-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine
SMILESCn1ccnc1SCc1csc(Nc2ccccc2)n1
InChIInChI=1S/C14H14N4S2/c1-18-8-7-15-14(18)20-10-12-9-19-13(17-12)16-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,16,17)
InChIKeyORFIIJJCLQWHDS-UHFFFAOYSA-N
XLogP3.91
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine?
The IUPAC name of 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine (CID 3598868) is 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine is Cn1ccnc1SCc1csc(Nc2ccccc2)n1.
What is the InChIKey of 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine?
The InChIKey is ORFIIJJCLQWHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S2/c1-18-8-7-15-14(18)20-10-12-9-19-13(17-12)16-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,16,17).
What are the key properties of 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine?
4-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine has a molecular weight of 302.43 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 3598868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).