(2,5-dimethyl-1,3-thiazol-4-yl)-(1-methylcyclopentyl)methanamine

C12H20N2S — CID 146444935

IUPAC(2,5-dimethyl-1,3-thiazol-4-yl)-(1-methylcyclopentyl)methanamine
SMILESCc1nc(C(N)C2(C)CCCC2)c(C)s1
InChIInChI=1S/C12H20N2S/c1-8-10(14-9(2)15-8)11(13)12(3)6-4-5-7-12/h11H,4-7,13H2,1-3H3
InChIKeyMEESOMFGVOLPOF-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.34
Rot. Bonds2

About (2,5-dimethyl-1,3-thiazol-4-yl)-(1-methylcyclopentyl)methanamine

(2,5-dimethyl-1,3-thiazol-4-yl)-(1-methylcyclopentyl)methanamine (PubChem CID 146444935) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is (2,5-dimethyl-1,3-thiazol-4-yl)-(1-methylcyclopentyl)methanamine.

Molecular Properties

Compound Name(2,5-dimethyl-1,3-thiazol-4-yl)-(1-methylcyclopentyl)methanamine
PubChem CID146444935
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name(2,5-dimethyl-1,3-thiazol-4-yl)-(1-methylcyclopentyl)methanamine
SMILESCc1nc(C(N)C2(C)CCCC2)c(C)s1
InChIInChI=1S/C12H20N2S/c1-8-10(14-9(2)15-8)11(13)12(3)6-4-5-7-12/h11H,4-7,13H2,1-3H3
InChIKeyMEESOMFGVOLPOF-UHFFFAOYSA-N
XLogP3.34
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-1,3-thiazol-4-yl)-(1-methylcyclopentyl)methanamine?
The IUPAC name of (2,5-dimethyl-1,3-thiazol-4-yl)-(1-methylcyclopentyl)methanamine (CID 146444935) is (2,5-dimethyl-1,3-thiazol-4-yl)-(1-methylcyclopentyl)methanamine.
What is the SMILES notation for (2,5-dimethyl-1,3-thiazol-4-yl)-(1-methylcyclopentyl)methanamine?
The canonical SMILES for (2,5-dimethyl-1,3-thiazol-4-yl)-(1-methylcyclopentyl)methanamine is Cc1nc(C(N)C2(C)CCCC2)c(C)s1.
What is the InChIKey of (2,5-dimethyl-1,3-thiazol-4-yl)-(1-methylcyclopentyl)methanamine?
The InChIKey is MEESOMFGVOLPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-8-10(14-9(2)15-8)11(13)12(3)6-4-5-7-12/h11H,4-7,13H2,1-3H3.
What are the key properties of (2,5-dimethyl-1,3-thiazol-4-yl)-(1-methylcyclopentyl)methanamine?
(2,5-dimethyl-1,3-thiazol-4-yl)-(1-methylcyclopentyl)methanamine has a molecular weight of 224.37 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-1,3-thiazol-4-yl)-(1-methylcyclopentyl)methanamine is sourced from PubChem (CID 146444935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).