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

C12H20N2S — CID 115034761

IUPAC3-[2-(1-methylcyclopentyl)-1,3-thiazol-5-yl]propan-1-amine
SMILESCC1(c2ncc(CCCN)s2)CCCC1
InChIInChI=1S/C12H20N2S/c1-12(6-2-3-7-12)11-14-9-10(15-11)5-4-8-13/h9H,2-8,13H2,1H3
InChIKeyPCROBPSGNYMYFQ-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.87
Rot. Bonds4

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

3-[2-(1-methylcyclopentyl)-1,3-thiazol-5-yl]propan-1-amine (PubChem CID 115034761) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 3-[2-(1-methylcyclopentyl)-1,3-thiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(1-methylcyclopentyl)-1,3-thiazol-5-yl]propan-1-amine
PubChem CID115034761
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name3-[2-(1-methylcyclopentyl)-1,3-thiazol-5-yl]propan-1-amine
SMILESCC1(c2ncc(CCCN)s2)CCCC1
InChIInChI=1S/C12H20N2S/c1-12(6-2-3-7-12)11-14-9-10(15-11)5-4-8-13/h9H,2-8,13H2,1H3
InChIKeyPCROBPSGNYMYFQ-UHFFFAOYSA-N
XLogP2.87
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,2-Dimethylpropyl)-2-fluoro-1,3-thiazole
CID 59623658
5-(3,3-Dimethylbutan-2-yl)-2-fluoro-1,3-thiazole
CID 59623676
5-(Piperidin-4-yl)thiazole
CID 82413083
2-[(2-Tert-butyl-1,3-thiazol-5-yl)methyl]-2-(3,3,3-trifluoropropyl)propanedinitrile
CID 89006361
5-(2,2-Dimethylpropyl)-2-(trifluoromethyl)-1,3-thiazole
CID 118516102
5-[(4-Fluoropiperidin-4-yl)methyl]-2-methyl-1,3-thiazole
CID 163385852
2-Methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole
CID 163762677
5-Butyl-2-ethylthiazole
CID 581137
2-Amino-ethyl-5-ter t-butylthiazole
CID 83846934
3-[2-(Fluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 84766703
3-[2-(fluoromethyl)-1,3-thiazol-5-yl]-N-methylpropan-1-amine
CID 84770836
1-[2-(2-Fluoropropan-2-yl)-1,3-thiazol-5-yl]propan-2-amine
CID 84776937

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-methylcyclopentyl)-1,3-thiazol-5-yl]propan-1-amine?
The IUPAC name of 3-[2-(1-methylcyclopentyl)-1,3-thiazol-5-yl]propan-1-amine (CID 115034761) is 3-[2-(1-methylcyclopentyl)-1,3-thiazol-5-yl]propan-1-amine.
What is the SMILES notation for 3-[2-(1-methylcyclopentyl)-1,3-thiazol-5-yl]propan-1-amine?
The canonical SMILES for 3-[2-(1-methylcyclopentyl)-1,3-thiazol-5-yl]propan-1-amine is CC1(c2ncc(CCCN)s2)CCCC1.
What is the InChIKey of 3-[2-(1-methylcyclopentyl)-1,3-thiazol-5-yl]propan-1-amine?
The InChIKey is PCROBPSGNYMYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-12(6-2-3-7-12)11-14-9-10(15-11)5-4-8-13/h9H,2-8,13H2,1H3.
What are the key properties of 3-[2-(1-methylcyclopentyl)-1,3-thiazol-5-yl]propan-1-amine?
3-[2-(1-methylcyclopentyl)-1,3-thiazol-5-yl]propan-1-amine has a molecular weight of 224.37 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-methylcyclopentyl)-1,3-thiazol-5-yl]propan-1-amine is sourced from PubChem (CID 115034761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).