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

C14H17N3O2S2 — CID 43234302

IUPAC3-methyl-1,1-dioxo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thiolan-3-amine
SMILESCC1(NCc2csc(-c3ccccn3)n2)CCS(=O)(=O)C1
InChIInChI=1S/C14H17N3O2S2/c1-14(5-7-21(18,19)10-14)16-8-11-9-20-13(17-11)12-4-2-3-6-15-12/h2-4,6,9,16H,5,7-8,10H2,1H3
InChIKeyIHJCDJPDDJCFQZ-UHFFFAOYSA-N
MW323.44 g/mol
LogP1.87
Rot. Bonds4

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

3-methyl-1,1-dioxo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thiolan-3-amine (PubChem CID 43234302) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 3-methyl-1,1-dioxo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thiolan-3-amine.

Molecular Properties

Compound Name3-methyl-1,1-dioxo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thiolan-3-amine
PubChem CID43234302
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC Name3-methyl-1,1-dioxo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thiolan-3-amine
SMILESCC1(NCc2csc(-c3ccccn3)n2)CCS(=O)(=O)C1
InChIInChI=1S/C14H17N3O2S2/c1-14(5-7-21(18,19)10-14)16-8-11-9-20-13(17-11)12-4-2-3-6-15-12/h2-4,6,9,16H,5,7-8,10H2,1H3
InChIKeyIHJCDJPDDJCFQZ-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 3-methyl-1,1-dioxo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thiolan-3-amine with MolForge

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Related Compounds

[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]cyclohexyl]methanol
CID 62521004
1,1-dioxo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thian-4-amine
CID 43778614
3-methyl-1,1-dioxo-N-(quinoxalin-2-ylmethyl)thiolan-3-amine
CID 43780137
3-methyl-1,1-dioxo-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine
CID 63654993
N-[(2-methylpropan-2-yl)oxy]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine
CID 82720811
3-methylsulfinyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 115632903
3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]butanamide
CID 115749394
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methyl-1,1-dioxothiolan-3-amine
CID 60702940
2-methyl-2-[[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 111696195
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 43234356
2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropan-1-amine
CID 62396715
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pent-4-en-2-amine
CID 115633197

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,1-dioxo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thiolan-3-amine?
The IUPAC name of 3-methyl-1,1-dioxo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thiolan-3-amine (CID 43234302) is 3-methyl-1,1-dioxo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thiolan-3-amine.
What is the SMILES notation for 3-methyl-1,1-dioxo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thiolan-3-amine?
The canonical SMILES for 3-methyl-1,1-dioxo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thiolan-3-amine is CC1(NCc2csc(-c3ccccn3)n2)CCS(=O)(=O)C1.
What is the InChIKey of 3-methyl-1,1-dioxo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thiolan-3-amine?
The InChIKey is IHJCDJPDDJCFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c1-14(5-7-21(18,19)10-14)16-8-11-9-20-13(17-11)12-4-2-3-6-15-12/h2-4,6,9,16H,5,7-8,10H2,1H3.
What are the key properties of 3-methyl-1,1-dioxo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thiolan-3-amine?
3-methyl-1,1-dioxo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thiolan-3-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 3-methyl-1,1-dioxo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thiolan-3-amine is sourced from PubChem (CID 43234302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).