(3-methylcyclopentyl)-(1,3-thiazol-4-yl)methanamine

C10H16N2S — CID 126987199

IUPAC(3-methylcyclopentyl)-(1,3-thiazol-4-yl)methanamine
SMILESCC1CCC(C(N)c2cscn2)C1
InChIInChI=1S/C10H16N2S/c1-7-2-3-8(4-7)10(11)9-5-13-6-12-9/h5-8,10H,2-4,11H2,1H3
InChIKeyPFFRKRGQGXUZEP-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.58
Rot. Bonds2

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

(3-methylcyclopentyl)-(1,3-thiazol-4-yl)methanamine (PubChem CID 126987199) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is (3-methylcyclopentyl)-(1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound Name(3-methylcyclopentyl)-(1,3-thiazol-4-yl)methanamine
PubChem CID126987199
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name(3-methylcyclopentyl)-(1,3-thiazol-4-yl)methanamine
SMILESCC1CCC(C(N)c2cscn2)C1
InChIInChI=1S/C10H16N2S/c1-7-2-3-8(4-7)10(11)9-5-13-6-12-9/h5-8,10H,2-4,11H2,1H3
InChIKeyPFFRKRGQGXUZEP-UHFFFAOYSA-N
XLogP2.58
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methylcyclopentyl)-(1,3-thiazol-4-yl)methanamine?
The IUPAC name of (3-methylcyclopentyl)-(1,3-thiazol-4-yl)methanamine (CID 126987199) is (3-methylcyclopentyl)-(1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for (3-methylcyclopentyl)-(1,3-thiazol-4-yl)methanamine?
The canonical SMILES for (3-methylcyclopentyl)-(1,3-thiazol-4-yl)methanamine is CC1CCC(C(N)c2cscn2)C1.
What is the InChIKey of (3-methylcyclopentyl)-(1,3-thiazol-4-yl)methanamine?
The InChIKey is PFFRKRGQGXUZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-7-2-3-8(4-7)10(11)9-5-13-6-12-9/h5-8,10H,2-4,11H2,1H3.
What are the key properties of (3-methylcyclopentyl)-(1,3-thiazol-4-yl)methanamine?
(3-methylcyclopentyl)-(1,3-thiazol-4-yl)methanamine has a molecular weight of 196.32 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclopentyl)-(1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 126987199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).