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

C15H18N2S2 — CID 79957399

IUPAC2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]thian-3-amine
SMILESCC1SCCCC1Nc1cccc(-c2nccs2)c1
InChIInChI=1S/C15H18N2S2/c1-11-14(6-3-8-18-11)17-13-5-2-4-12(10-13)15-16-7-9-19-15/h2,4-5,7,9-11,14,17H,3,6,8H2,1H3
InChIKeyDRNBCSDXXDAEFI-UHFFFAOYSA-N
MW290.46 g/mol
LogP4.51
Rot. Bonds3

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

2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]thian-3-amine (PubChem CID 79957399) has the molecular formula C15H18N2S2 and a molecular weight of 290.46 g/mol. Its IUPAC name is 2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]thian-3-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]thian-3-amine
PubChem CID79957399
Molecular FormulaC15H18N2S2
Molecular Weight290.46 g/mol
Exact Mass290.09
IUPAC Name2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]thian-3-amine
SMILESCC1SCCCC1Nc1cccc(-c2nccs2)c1
InChIInChI=1S/C15H18N2S2/c1-11-14(6-3-8-18-11)17-13-5-2-4-12(10-13)15-16-7-9-19-15/h2,4-5,7,9-11,14,17H,3,6,8H2,1H3
InChIKeyDRNBCSDXXDAEFI-UHFFFAOYSA-N
XLogP4.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-3-(1,3-thiazol-2-yl)aniline
CID 54864565
N-(4-propan-2-ylcyclohexyl)-3-(1,3-thiazol-2-yl)aniline
CID 63453258
N-(2,2-dimethylcyclohexyl)-3-(1,3-thiazol-2-yl)aniline
CID 79835492
N-(3-propan-2-ylcyclobutyl)-3-(1,3-thiazol-2-yl)aniline
CID 103561673
1,1-dioxo-N-[3-(1,3-thiazol-2-yl)phenyl]thian-4-amine
CID 60935054
ethane;N-methyl-3-(1,3-thiazol-2-yl)aniline
CID 143181511
[3-[(2-methylthian-3-yl)amino]phenyl]methanol
CID 79957294
1-[(3R)-thian-3-yl]-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 96528063
N-(3,4-dimethylphenyl)-2-methylthian-3-amine
CID 79957620
2-methyl-N-(3-methylphenyl)thiolan-3-amine
CID 102671005
2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]thian-3-amine
CID 79957567
N-[1-(1-methylpiperidin-3-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline
CID 60936185

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]thian-3-amine?
The IUPAC name of 2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]thian-3-amine (CID 79957399) is 2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]thian-3-amine.
What is the SMILES notation for 2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]thian-3-amine?
The canonical SMILES for 2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]thian-3-amine is CC1SCCCC1Nc1cccc(-c2nccs2)c1.
What is the InChIKey of 2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]thian-3-amine?
The InChIKey is DRNBCSDXXDAEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S2/c1-11-14(6-3-8-18-11)17-13-5-2-4-12(10-13)15-16-7-9-19-15/h2,4-5,7,9-11,14,17H,3,6,8H2,1H3.
What are the key properties of 2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]thian-3-amine?
2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]thian-3-amine has a molecular weight of 290.46 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]thian-3-amine is sourced from PubChem (CID 79957399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).