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

C11H18N2S2 — CID 115088318

IUPAC3-[2-(thian-3-yl)-1,3-thiazol-4-yl]propan-1-amine
SMILESNCCCc1csc(C2CCCSC2)n1
InChIInChI=1S/C11H18N2S2/c12-5-1-4-10-8-15-11(13-10)9-3-2-6-14-7-9/h8-9H,1-7,12H2
InChIKeyRHEKNUQQCVRGNF-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.64
Rot. Bonds4

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

3-[2-(thian-3-yl)-1,3-thiazol-4-yl]propan-1-amine (PubChem CID 115088318) has the molecular formula C11H18N2S2 and a molecular weight of 242.41 g/mol. Its IUPAC name is 3-[2-(thian-3-yl)-1,3-thiazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(thian-3-yl)-1,3-thiazol-4-yl]propan-1-amine
PubChem CID115088318
Molecular FormulaC11H18N2S2
Molecular Weight242.41 g/mol
Exact Mass242.09
IUPAC Name3-[2-(thian-3-yl)-1,3-thiazol-4-yl]propan-1-amine
SMILESNCCCc1csc(C2CCCSC2)n1
InChIInChI=1S/C11H18N2S2/c12-5-1-4-10-8-15-11(13-10)9-3-2-6-14-7-9/h8-9H,1-7,12H2
InChIKeyRHEKNUQQCVRGNF-UHFFFAOYSA-N
XLogP2.64
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(thian-3-yl)-1,3-thiazol-4-yl]acetaldehyde
CID 115088245
1-[2-(thian-3-yl)-1,3-thiazol-4-yl]propan-2-amine
CID 115088298
3-[2-(oxolan-3-yl)-1,3-thiazol-4-yl]propan-1-amine
CID 115028049
3-[2-(thiolan-3-yl)-1,3-thiazol-4-yl]propanoic acid
CID 115087775
3-[2-(thiolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-1-amine
CID 115088024
2-(thian-3-yl)-1,3-thiazole-4-carboxylic acid
CID 115037372
3-[3-(thian-3-yl)-1H-1,2,4-triazol-5-yl]propan-1-amine
CID 115035822
3-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazol-4-yl]propan-1-amine
CID 115088447
N-methyl-3-[2-(thian-4-yl)-1,3-thiazol-4-yl]propan-1-amine
CID 115087886
4-(2-cyclohexyl-1,3-thiazol-4-yl)-2-methylbutan-2-amine
CID 116888534
2-(azetidin-3-yl)-4-(thian-3-yl)-1,3-thiazole
CID 115043922
2-(2-pyrrolidin-3-yl-1,3-thiazol-4-yl)ethanamine
CID 115087742

Frequently Asked Questions

What is the IUPAC name of 3-[2-(thian-3-yl)-1,3-thiazol-4-yl]propan-1-amine?
The IUPAC name of 3-[2-(thian-3-yl)-1,3-thiazol-4-yl]propan-1-amine (CID 115088318) is 3-[2-(thian-3-yl)-1,3-thiazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[2-(thian-3-yl)-1,3-thiazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[2-(thian-3-yl)-1,3-thiazol-4-yl]propan-1-amine is NCCCc1csc(C2CCCSC2)n1.
What is the InChIKey of 3-[2-(thian-3-yl)-1,3-thiazol-4-yl]propan-1-amine?
The InChIKey is RHEKNUQQCVRGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S2/c12-5-1-4-10-8-15-11(13-10)9-3-2-6-14-7-9/h8-9H,1-7,12H2.
What are the key properties of 3-[2-(thian-3-yl)-1,3-thiazol-4-yl]propan-1-amine?
3-[2-(thian-3-yl)-1,3-thiazol-4-yl]propan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(thian-3-yl)-1,3-thiazol-4-yl]propan-1-amine is sourced from PubChem (CID 115088318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).