4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-amine

C11H12N2S2 — CID 3762953

IUPAC4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-amine
SMILESCCSc1ccc(-c2csc(N)n2)cc1
InChIInChI=1S/C11H12N2S2/c1-2-14-9-5-3-8(4-6-9)10-7-15-11(12)13-10/h3-7H,2H2,1H3,(H2,12,13)
InChIKeyHPEKJCQERMXDNA-UHFFFAOYSA-N
MW236.37 g/mol
LogP3.50
Rot. Bonds3

About 4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-amine

4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-amine (PubChem CID 3762953) has the molecular formula C11H12N2S2 and a molecular weight of 236.37 g/mol. Its IUPAC name is 4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-amine
PubChem CID3762953
Molecular FormulaC11H12N2S2
Molecular Weight236.37 g/mol
Exact Mass236.04
IUPAC Name4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-amine
SMILESCCSc1ccc(-c2csc(N)n2)cc1
InChIInChI=1S/C11H12N2S2/c1-2-14-9-5-3-8(4-6-9)10-7-15-11(12)13-10/h3-7H,2H2,1H3,(H2,12,13)
InChIKeyHPEKJCQERMXDNA-UHFFFAOYSA-N
XLogP3.50
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(bromomethyl)-4-(4-ethylsulfanylphenyl)-1,3-thiazole
CID 116970338
2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]ethanol
CID 116867767
4-(4-ethylsulfanylphenyl)-2-(methoxymethyl)-1,3-thiazole
CID 116969974
[2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983842
2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 4264597
ethane;4-phenyl-1,3-thiazol-2-amine
CID 91233366
4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-amine
CID 18526481
4-(4-chlorophenyl)-2-ethylsulfanyl-1,3-thiazole
CID 19194234
4-[4-(4-bromophenyl)phenyl]-1,3-thiazol-2-amine
CID 2756846
[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]hydrazine
CID 116892116
3-(4-ethylsulfanylphenyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 98019570
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propanamide
CID 896768

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-amine (CID 3762953) is 4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-amine is CCSc1ccc(-c2csc(N)n2)cc1.
What is the InChIKey of 4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-amine?
The InChIKey is HPEKJCQERMXDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S2/c1-2-14-9-5-3-8(4-6-9)10-7-15-11(12)13-10/h3-7H,2H2,1H3,(H2,12,13).
What are the key properties of 4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-amine?
4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-amine has a molecular weight of 236.37 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 3762953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).