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

C11H18N2S2 — CID 115088298

IUPAC1-[2-(thian-3-yl)-1,3-thiazol-4-yl]propan-2-amine
SMILESCC(N)Cc1csc(C2CCCSC2)n1
InChIInChI=1S/C11H18N2S2/c1-8(12)5-10-7-15-11(13-10)9-3-2-4-14-6-9/h7-9H,2-6,12H2,1H3
InChIKeyXAVSWKRFKSHKNQ-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.64
Rot. Bonds3

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

1-[2-(thian-3-yl)-1,3-thiazol-4-yl]propan-2-amine (PubChem CID 115088298) has the molecular formula C11H18N2S2 and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-[2-(thian-3-yl)-1,3-thiazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(thian-3-yl)-1,3-thiazol-4-yl]propan-2-amine
PubChem CID115088298
Molecular FormulaC11H18N2S2
Molecular Weight242.41 g/mol
Exact Mass242.09
IUPAC Name1-[2-(thian-3-yl)-1,3-thiazol-4-yl]propan-2-amine
SMILESCC(N)Cc1csc(C2CCCSC2)n1
InChIInChI=1S/C11H18N2S2/c1-8(12)5-10-7-15-11(13-10)9-3-2-4-14-6-9/h7-9H,2-6,12H2,1H3
InChIKeyXAVSWKRFKSHKNQ-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(thian-3-yl)-1,3-thiazol-4-yl]propan-1-amine
CID 115088318
2-[2-(thian-3-yl)-1,3-thiazol-4-yl]acetaldehyde
CID 115088245
2-cyclobutyl-4-(2-methylpropyl)-1,3-thiazole
CID 130891959
3-(2-cyclopentyl-1,3-thiazol-4-yl)-2-methylpropan-1-amine
CID 116888387
3-(2-cyclopentyl-1,3-thiazol-4-yl)-2-methylpropanoic acid
CID 116889289
2-(azetidin-3-yl)-4-(thian-3-yl)-1,3-thiazole
CID 115043922
2-(thian-3-yl)-1,3-thiazole-4-carboxylic acid
CID 115037372
1-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]propan-2-amine
CID 115082089
1-(2-cyclooctyl-1,3-thiazol-4-yl)ethanamine
CID 80609462
3-[2-(thiolan-3-yl)-1,3-thiazol-4-yl]propanoic acid
CID 115087775
2-[2-(thian-3-yl)-1,3-thiazol-5-yl]propan-1-amine
CID 115090378
1-[2-(oxan-4-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine
CID 115088149

Frequently Asked Questions

What is the IUPAC name of 1-[2-(thian-3-yl)-1,3-thiazol-4-yl]propan-2-amine?
The IUPAC name of 1-[2-(thian-3-yl)-1,3-thiazol-4-yl]propan-2-amine (CID 115088298) is 1-[2-(thian-3-yl)-1,3-thiazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[2-(thian-3-yl)-1,3-thiazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[2-(thian-3-yl)-1,3-thiazol-4-yl]propan-2-amine is CC(N)Cc1csc(C2CCCSC2)n1.
What is the InChIKey of 1-[2-(thian-3-yl)-1,3-thiazol-4-yl]propan-2-amine?
The InChIKey is XAVSWKRFKSHKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S2/c1-8(12)5-10-7-15-11(13-10)9-3-2-4-14-6-9/h7-9H,2-6,12H2,1H3.
What are the key properties of 1-[2-(thian-3-yl)-1,3-thiazol-4-yl]propan-2-amine?
1-[2-(thian-3-yl)-1,3-thiazol-4-yl]propan-2-amine has a molecular weight of 242.41 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(thian-3-yl)-1,3-thiazol-4-yl]propan-2-amine is sourced from PubChem (CID 115088298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).