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

C14H17N3O2S2 — CID 43778614

IUPAC1,1-dioxo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thian-4-amine
SMILESO=S1(=O)CCC(NCc2csc(-c3ccccn3)n2)CC1
InChIInChI=1S/C14H17N3O2S2/c18-21(19)7-4-11(5-8-21)16-9-12-10-20-14(17-12)13-3-1-2-6-15-13/h1-3,6,10-11,16H,4-5,7-9H2
InChIKeyJSGVEULYXMIRJI-UHFFFAOYSA-N
MW323.44 g/mol
LogP1.87
Rot. Bonds4

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

1,1-dioxo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thian-4-amine (PubChem CID 43778614) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1,1-dioxo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thian-4-amine.

Molecular Properties

Compound Name1,1-dioxo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thian-4-amine
PubChem CID43778614
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC Name1,1-dioxo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thian-4-amine
SMILESO=S1(=O)CCC(NCc2csc(-c3ccccn3)n2)CC1
InChIInChI=1S/C14H17N3O2S2/c18-21(19)7-4-11(5-8-21)16-9-12-10-20-14(17-12)13-3-1-2-6-15-13/h1-3,6,10-11,16H,4-5,7-9H2
InChIKeyJSGVEULYXMIRJI-UHFFFAOYSA-N
XLogP1.87
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1,1-dioxo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thian-4-amine with MolForge

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Related Compounds

N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 43234356
4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]pyrrolidin-2-one
CID 106184210
2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropan-1-amine
CID 62396715
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothian-4-amine
CID 43615105
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-2,3,4,5-tetrahydro-1-benzoxepin-3-amine
CID 126812434
1-cyclohexyl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]urea
CID 108784317
3-methyl-1,1-dioxo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thiolan-3-amine
CID 43234302
1-cyclobutyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 115768471
N-cyclooctyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17449429
1-cyclopentyl-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]ethanol
CID 111425385
N'-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 55025320
4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]butanamide
CID 60863942

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thian-4-amine?
The IUPAC name of 1,1-dioxo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thian-4-amine (CID 43778614) is 1,1-dioxo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thian-4-amine.
What is the SMILES notation for 1,1-dioxo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thian-4-amine?
The canonical SMILES for 1,1-dioxo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thian-4-amine is O=S1(=O)CCC(NCc2csc(-c3ccccn3)n2)CC1.
What is the InChIKey of 1,1-dioxo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thian-4-amine?
The InChIKey is JSGVEULYXMIRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c18-21(19)7-4-11(5-8-21)16-9-12-10-20-14(17-12)13-3-1-2-6-15-13/h1-3,6,10-11,16H,4-5,7-9H2.
What are the key properties of 1,1-dioxo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thian-4-amine?
1,1-dioxo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thian-4-amine has a molecular weight of 323.44 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thian-4-amine is sourced from PubChem (CID 43778614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).