N-(3-methylsulfanylphenyl)-4-(4-methylthiophen-2-yl)-1,3-thiazol-2-amine

C15H14N2S3 — CID 122184011

IUPACN-(3-methylsulfanylphenyl)-4-(4-methylthiophen-2-yl)-1,3-thiazol-2-amine
SMILESCSc1cccc(Nc2nc(-c3cc(C)cs3)cs2)c1
InChIInChI=1S/C15H14N2S3/c1-10-6-14(19-8-10)13-9-20-15(17-13)16-11-4-3-5-12(7-11)18-2/h3-9H,1-2H3,(H,16,17)
InChIKeyDFOLJKOSLRPIRS-UHFFFAOYSA-N
MW318.49 g/mol
LogP5.65
Rot. Bonds4

About N-(3-methylsulfanylphenyl)-4-(4-methylthiophen-2-yl)-1,3-thiazol-2-amine

N-(3-methylsulfanylphenyl)-4-(4-methylthiophen-2-yl)-1,3-thiazol-2-amine (PubChem CID 122184011) has the molecular formula C15H14N2S3 and a molecular weight of 318.49 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-4-(4-methylthiophen-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-4-(4-methylthiophen-2-yl)-1,3-thiazol-2-amine
PubChem CID122184011
Molecular FormulaC15H14N2S3
Molecular Weight318.49 g/mol
Exact Mass318.03
IUPAC NameN-(3-methylsulfanylphenyl)-4-(4-methylthiophen-2-yl)-1,3-thiazol-2-amine
SMILESCSc1cccc(Nc2nc(-c3cc(C)cs3)cs2)c1
InChIInChI=1S/C15H14N2S3/c1-10-6-14(19-8-10)13-9-20-15(17-13)16-11-4-3-5-12(7-11)18-2/h3-9H,1-2H3,(H,16,17)
InChIKeyDFOLJKOSLRPIRS-UHFFFAOYSA-N
XLogP5.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.49
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylsulfanylphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine
CID 58910606
4-bromo-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine
CID 79399128
ethyl 5-[2-(3-methylsulfanylanilino)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate
CID 122183965
4-(4-chlorothiophen-2-yl)-N-phenyl-1,3-thiazol-2-amine
CID 175982198
4-(2-fluoro-5-methylphenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 71396303
4-(1,7-diazabicyclo[4.3.1]deca-2,4,6,8-tetraen-9-yl)-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine
CID 129173896
4-(4-iodophenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 560642
4-(3,4-dimethylphenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 873210
7-chloro-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine
CID 43306507
N-(3-methylphenyl)-6-methylsulfanyl-1,3-benzothiazol-2-amine
CID 7489935
4-(3-chlorophenyl)-N-(3-propylsulfanylphenyl)-1,3-thiazol-2-amine
CID 122183985
6-N-(3-methylsulfanylphenyl)pyridine-2,6-diamine
CID 80647295

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-4-(4-methylthiophen-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(3-methylsulfanylphenyl)-4-(4-methylthiophen-2-yl)-1,3-thiazol-2-amine (CID 122184011) is N-(3-methylsulfanylphenyl)-4-(4-methylthiophen-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-4-(4-methylthiophen-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-methylsulfanylphenyl)-4-(4-methylthiophen-2-yl)-1,3-thiazol-2-amine is CSc1cccc(Nc2nc(-c3cc(C)cs3)cs2)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-4-(4-methylthiophen-2-yl)-1,3-thiazol-2-amine?
The InChIKey is DFOLJKOSLRPIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S3/c1-10-6-14(19-8-10)13-9-20-15(17-13)16-11-4-3-5-12(7-11)18-2/h3-9H,1-2H3,(H,16,17).
What are the key properties of N-(3-methylsulfanylphenyl)-4-(4-methylthiophen-2-yl)-1,3-thiazol-2-amine?
N-(3-methylsulfanylphenyl)-4-(4-methylthiophen-2-yl)-1,3-thiazol-2-amine has a molecular weight of 318.49 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-4-(4-methylthiophen-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 122184011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).