3-[2-(thiolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-1-amine

C11H18N2S2 — CID 115088024

IUPAC3-[2-(thiolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-1-amine
SMILESNCCCc1csc(CC2CCSC2)n1
InChIInChI=1S/C11H18N2S2/c12-4-1-2-10-8-15-11(13-10)6-9-3-5-14-7-9/h8-9H,1-7,12H2
InChIKeyIMUSRPIVYSCYMK-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.33
Rot. Bonds5

About 3-[2-(thiolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-1-amine

3-[2-(thiolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-1-amine (PubChem CID 115088024) has the molecular formula C11H18N2S2 and a molecular weight of 242.41 g/mol. Its IUPAC name is 3-[2-(thiolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(thiolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-1-amine
PubChem CID115088024
Molecular FormulaC11H18N2S2
Molecular Weight242.41 g/mol
Exact Mass242.09
IUPAC Name3-[2-(thiolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-1-amine
SMILESNCCCc1csc(CC2CCSC2)n1
InChIInChI=1S/C11H18N2S2/c12-4-1-2-10-8-15-11(13-10)6-9-3-5-14-7-9/h8-9H,1-7,12H2
InChIKeyIMUSRPIVYSCYMK-UHFFFAOYSA-N
XLogP2.33
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine
CID 115088155
[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]methanamine
CID 115088124
1-[2-(thiolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-one
CID 115087946
3-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]propan-1-amine
CID 115088031
N-methyl-2-[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine
CID 115088156
3-[2-(thian-3-yl)-1,3-thiazol-4-yl]propan-1-amine
CID 115088318
3-[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]propanoic acid
CID 115088202
3-[2-(thian-3-ylmethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 115091179
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-methylthiolan-3-amine
CID 66389020
2-[2-(thian-3-ylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 115091155
3-[2-(thian-4-yl)-1,3-oxazol-4-yl]propan-1-amine
CID 115035817
N-methyl-3-[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]propan-1-amine
CID 115088029

Frequently Asked Questions

What is the IUPAC name of 3-[2-(thiolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-1-amine?
The IUPAC name of 3-[2-(thiolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-1-amine (CID 115088024) is 3-[2-(thiolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[2-(thiolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[2-(thiolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-1-amine is NCCCc1csc(CC2CCSC2)n1.
What is the InChIKey of 3-[2-(thiolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-1-amine?
The InChIKey is IMUSRPIVYSCYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S2/c12-4-1-2-10-8-15-11(13-10)6-9-3-5-14-7-9/h8-9H,1-7,12H2.
What are the key properties of 3-[2-(thiolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-1-amine?
3-[2-(thiolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(thiolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-1-amine is sourced from PubChem (CID 115088024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).