N-methyl-4-(1,3-thiazol-2-ylmethyl)thiolan-3-amine

C9H14N2S2 — CID 83195453

IUPACN-methyl-4-(1,3-thiazol-2-ylmethyl)thiolan-3-amine
SMILESCNC1CSCC1Cc1nccs1
InChIInChI=1S/C9H14N2S2/c1-10-8-6-12-5-7(8)4-9-11-2-3-13-9/h2-3,7-8,10H,4-6H2,1H3
InChIKeyDVAOETMFKKTACI-UHFFFAOYSA-N
MW214.36 g/mol
LogP1.64
Rot. Bonds3

About N-methyl-4-(1,3-thiazol-2-ylmethyl)thiolan-3-amine

N-methyl-4-(1,3-thiazol-2-ylmethyl)thiolan-3-amine (PubChem CID 83195453) has the molecular formula C9H14N2S2 and a molecular weight of 214.36 g/mol. Its IUPAC name is N-methyl-4-(1,3-thiazol-2-ylmethyl)thiolan-3-amine.

Molecular Properties

Compound NameN-methyl-4-(1,3-thiazol-2-ylmethyl)thiolan-3-amine
PubChem CID83195453
Molecular FormulaC9H14N2S2
Molecular Weight214.36 g/mol
Exact Mass214.06
IUPAC NameN-methyl-4-(1,3-thiazol-2-ylmethyl)thiolan-3-amine
SMILESCNC1CSCC1Cc1nccs1
InChIInChI=1S/C9H14N2S2/c1-10-8-6-12-5-7(8)4-9-11-2-3-13-9/h2-3,7-8,10H,4-6H2,1H3
InChIKeyDVAOETMFKKTACI-UHFFFAOYSA-N
XLogP1.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.36
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(1,3-thiazol-2-ylmethyl)thiolan-3-amine?
The IUPAC name of N-methyl-4-(1,3-thiazol-2-ylmethyl)thiolan-3-amine (CID 83195453) is N-methyl-4-(1,3-thiazol-2-ylmethyl)thiolan-3-amine.
What is the SMILES notation for N-methyl-4-(1,3-thiazol-2-ylmethyl)thiolan-3-amine?
The canonical SMILES for N-methyl-4-(1,3-thiazol-2-ylmethyl)thiolan-3-amine is CNC1CSCC1Cc1nccs1.
What is the InChIKey of N-methyl-4-(1,3-thiazol-2-ylmethyl)thiolan-3-amine?
The InChIKey is DVAOETMFKKTACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S2/c1-10-8-6-12-5-7(8)4-9-11-2-3-13-9/h2-3,7-8,10H,4-6H2,1H3.
What are the key properties of N-methyl-4-(1,3-thiazol-2-ylmethyl)thiolan-3-amine?
N-methyl-4-(1,3-thiazol-2-ylmethyl)thiolan-3-amine has a molecular weight of 214.36 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(1,3-thiazol-2-ylmethyl)thiolan-3-amine is sourced from PubChem (CID 83195453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).