N-methyl-1-(thian-3-yl)-1-(1,3-thiazol-2-yl)methanamine

C10H16N2S2 — CID 130518317

IUPACN-methyl-1-(thian-3-yl)-1-(1,3-thiazol-2-yl)methanamine
SMILESCNC(c1nccs1)C1CCCSC1
InChIInChI=1S/C10H16N2S2/c1-11-9(10-12-4-6-14-10)8-3-2-5-13-7-8/h4,6,8-9,11H,2-3,5,7H2,1H3
InChIKeyIJXHSOHRWUZXFW-UHFFFAOYSA-N
MW228.39 g/mol
LogP2.55
Rot. Bonds3

About N-methyl-1-(thian-3-yl)-1-(1,3-thiazol-2-yl)methanamine

N-methyl-1-(thian-3-yl)-1-(1,3-thiazol-2-yl)methanamine (PubChem CID 130518317) has the molecular formula C10H16N2S2 and a molecular weight of 228.39 g/mol. Its IUPAC name is N-methyl-1-(thian-3-yl)-1-(1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(thian-3-yl)-1-(1,3-thiazol-2-yl)methanamine
PubChem CID130518317
Molecular FormulaC10H16N2S2
Molecular Weight228.39 g/mol
Exact Mass228.08
IUPAC NameN-methyl-1-(thian-3-yl)-1-(1,3-thiazol-2-yl)methanamine
SMILESCNC(c1nccs1)C1CCCSC1
InChIInChI=1S/C10H16N2S2/c1-11-9(10-12-4-6-14-10)8-3-2-5-13-7-8/h4,6,8-9,11H,2-3,5,7H2,1H3
InChIKeyIJXHSOHRWUZXFW-UHFFFAOYSA-N
XLogP2.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(thian-3-yl)-1-(1,3-thiazol-2-yl)methanamine?
The IUPAC name of N-methyl-1-(thian-3-yl)-1-(1,3-thiazol-2-yl)methanamine (CID 130518317) is N-methyl-1-(thian-3-yl)-1-(1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(thian-3-yl)-1-(1,3-thiazol-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(thian-3-yl)-1-(1,3-thiazol-2-yl)methanamine is CNC(c1nccs1)C1CCCSC1.
What is the InChIKey of N-methyl-1-(thian-3-yl)-1-(1,3-thiazol-2-yl)methanamine?
The InChIKey is IJXHSOHRWUZXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S2/c1-11-9(10-12-4-6-14-10)8-3-2-5-13-7-8/h4,6,8-9,11H,2-3,5,7H2,1H3.
What are the key properties of N-methyl-1-(thian-3-yl)-1-(1,3-thiazol-2-yl)methanamine?
N-methyl-1-(thian-3-yl)-1-(1,3-thiazol-2-yl)methanamine has a molecular weight of 228.39 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(thian-3-yl)-1-(1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 130518317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).