2-[2-(thian-3-yl)-1,3-thiazol-5-yl]propan-1-amine

C11H18N2S2 — CID 115090378

IUPAC2-[2-(thian-3-yl)-1,3-thiazol-5-yl]propan-1-amine
SMILESCC(CN)c1cnc(C2CCCSC2)s1
InChIInChI=1S/C11H18N2S2/c1-8(5-12)10-6-13-11(15-10)9-3-2-4-14-7-9/h6,8-9H,2-5,7,12H2,1H3
InChIKeyROQUXSQIJWKYIO-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.82
Rot. Bonds3

About 2-[2-(thian-3-yl)-1,3-thiazol-5-yl]propan-1-amine

2-[2-(thian-3-yl)-1,3-thiazol-5-yl]propan-1-amine (PubChem CID 115090378) has the molecular formula C11H18N2S2 and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-[2-(thian-3-yl)-1,3-thiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name2-[2-(thian-3-yl)-1,3-thiazol-5-yl]propan-1-amine
PubChem CID115090378
Molecular FormulaC11H18N2S2
Molecular Weight242.41 g/mol
Exact Mass242.09
IUPAC Name2-[2-(thian-3-yl)-1,3-thiazol-5-yl]propan-1-amine
SMILESCC(CN)c1cnc(C2CCCSC2)s1
InChIInChI=1S/C11H18N2S2/c1-8(5-12)10-6-13-11(15-10)9-3-2-4-14-7-9/h6,8-9H,2-5,7,12H2,1H3
InChIKeyROQUXSQIJWKYIO-UHFFFAOYSA-N
XLogP2.82
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(thian-3-yl)-1,3-thiazol-5-yl]propan-1-amine?
The IUPAC name of 2-[2-(thian-3-yl)-1,3-thiazol-5-yl]propan-1-amine (CID 115090378) is 2-[2-(thian-3-yl)-1,3-thiazol-5-yl]propan-1-amine.
What is the SMILES notation for 2-[2-(thian-3-yl)-1,3-thiazol-5-yl]propan-1-amine?
The canonical SMILES for 2-[2-(thian-3-yl)-1,3-thiazol-5-yl]propan-1-amine is CC(CN)c1cnc(C2CCCSC2)s1.
What is the InChIKey of 2-[2-(thian-3-yl)-1,3-thiazol-5-yl]propan-1-amine?
The InChIKey is ROQUXSQIJWKYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S2/c1-8(5-12)10-6-13-11(15-10)9-3-2-4-14-7-9/h6,8-9H,2-5,7,12H2,1H3.
What are the key properties of 2-[2-(thian-3-yl)-1,3-thiazol-5-yl]propan-1-amine?
2-[2-(thian-3-yl)-1,3-thiazol-5-yl]propan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(thian-3-yl)-1,3-thiazol-5-yl]propan-1-amine is sourced from PubChem (CID 115090378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).