1,1-dioxo-N-[3-(1,3-thiazol-2-yl)phenyl]thian-4-amine

C14H16N2O2S2 — CID 60935054

IUPAC1,1-dioxo-N-[3-(1,3-thiazol-2-yl)phenyl]thian-4-amine
SMILESO=S1(=O)CCC(Nc2cccc(-c3nccs3)c2)CC1
InChIInChI=1S/C14H16N2O2S2/c17-20(18)8-4-12(5-9-20)16-13-3-1-2-11(10-13)14-15-6-7-19-14/h1-3,6-7,10,12,16H,4-5,8-9H2
InChIKeyKXGFWYFOPGOKKV-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.80
Rot. Bonds3

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

1,1-dioxo-N-[3-(1,3-thiazol-2-yl)phenyl]thian-4-amine (PubChem CID 60935054) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 1,1-dioxo-N-[3-(1,3-thiazol-2-yl)phenyl]thian-4-amine.

Molecular Properties

Compound Name1,1-dioxo-N-[3-(1,3-thiazol-2-yl)phenyl]thian-4-amine
PubChem CID60935054
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC Name1,1-dioxo-N-[3-(1,3-thiazol-2-yl)phenyl]thian-4-amine
SMILESO=S1(=O)CCC(Nc2cccc(-c3nccs3)c2)CC1
InChIInChI=1S/C14H16N2O2S2/c17-20(18)8-4-12(5-9-20)16-13-3-1-2-11(10-13)14-15-6-7-19-14/h1-3,6-7,10,12,16H,4-5,8-9H2
InChIKeyKXGFWYFOPGOKKV-UHFFFAOYSA-N
XLogP2.80
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(3-propan-2-ylcyclobutyl)-3-(1,3-thiazol-2-yl)aniline
CID 103561673
N-(2,2-dimethylcyclohexyl)-3-(1,3-thiazol-2-yl)aniline
CID 79835492
2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]thian-3-amine
CID 79957399
ethane;N-methyl-3-(1,3-thiazol-2-yl)aniline
CID 143181511
N-cyclohexyl-4-(1,3-thiazol-2-yl)aniline
CID 54861949
(2R)-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119399855
N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119164418
1-[(3R)-thian-3-yl]-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 96528063
1,1-dioxo-N-[3-(trifluoromethyl)phenyl]thian-4-amine
CID 43511458
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 1,1-dioxo-N-[3-(1,3-thiazol-2-yl)phenyl]thian-4-amine?
The IUPAC name of 1,1-dioxo-N-[3-(1,3-thiazol-2-yl)phenyl]thian-4-amine (CID 60935054) is 1,1-dioxo-N-[3-(1,3-thiazol-2-yl)phenyl]thian-4-amine.
What is the SMILES notation for 1,1-dioxo-N-[3-(1,3-thiazol-2-yl)phenyl]thian-4-amine?
The canonical SMILES for 1,1-dioxo-N-[3-(1,3-thiazol-2-yl)phenyl]thian-4-amine is O=S1(=O)CCC(Nc2cccc(-c3nccs3)c2)CC1.
What is the InChIKey of 1,1-dioxo-N-[3-(1,3-thiazol-2-yl)phenyl]thian-4-amine?
The InChIKey is KXGFWYFOPGOKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c17-20(18)8-4-12(5-9-20)16-13-3-1-2-11(10-13)14-15-6-7-19-14/h1-3,6-7,10,12,16H,4-5,8-9H2.
What are the key properties of 1,1-dioxo-N-[3-(1,3-thiazol-2-yl)phenyl]thian-4-amine?
1,1-dioxo-N-[3-(1,3-thiazol-2-yl)phenyl]thian-4-amine has a molecular weight of 308.43 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-[3-(1,3-thiazol-2-yl)phenyl]thian-4-amine is sourced from PubChem (CID 60935054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).