(5-cyclopentyl-4-pyridin-3-yl-1,3-thiazol-2-yl)methanamine

C14H17N3S — CID 82106833

IUPAC(5-cyclopentyl-4-pyridin-3-yl-1,3-thiazol-2-yl)methanamine
SMILESNCc1nc(-c2cccnc2)c(C2CCCC2)s1
InChIInChI=1S/C14H17N3S/c15-8-12-17-13(11-6-3-7-16-9-11)14(18-12)10-4-1-2-5-10/h3,6-7,9-10H,1-2,4-5,8,15H2
InChIKeyVFEYHYWYRCINLG-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.32
Rot. Bonds3

About (5-cyclopentyl-4-pyridin-3-yl-1,3-thiazol-2-yl)methanamine

(5-cyclopentyl-4-pyridin-3-yl-1,3-thiazol-2-yl)methanamine (PubChem CID 82106833) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is (5-cyclopentyl-4-pyridin-3-yl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name(5-cyclopentyl-4-pyridin-3-yl-1,3-thiazol-2-yl)methanamine
PubChem CID82106833
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name(5-cyclopentyl-4-pyridin-3-yl-1,3-thiazol-2-yl)methanamine
SMILESNCc1nc(-c2cccnc2)c(C2CCCC2)s1
InChIInChI=1S/C14H17N3S/c15-8-12-17-13(11-6-3-7-16-9-11)14(18-12)10-4-1-2-5-10/h3,6-7,9-10H,1-2,4-5,8,15H2
InChIKeyVFEYHYWYRCINLG-UHFFFAOYSA-N
XLogP3.32
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopentyl-4-pyridin-3-yl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of (5-cyclopentyl-4-pyridin-3-yl-1,3-thiazol-2-yl)methanamine (CID 82106833) is (5-cyclopentyl-4-pyridin-3-yl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for (5-cyclopentyl-4-pyridin-3-yl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for (5-cyclopentyl-4-pyridin-3-yl-1,3-thiazol-2-yl)methanamine is NCc1nc(-c2cccnc2)c(C2CCCC2)s1.
What is the InChIKey of (5-cyclopentyl-4-pyridin-3-yl-1,3-thiazol-2-yl)methanamine?
The InChIKey is VFEYHYWYRCINLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c15-8-12-17-13(11-6-3-7-16-9-11)14(18-12)10-4-1-2-5-10/h3,6-7,9-10H,1-2,4-5,8,15H2.
What are the key properties of (5-cyclopentyl-4-pyridin-3-yl-1,3-thiazol-2-yl)methanamine?
(5-cyclopentyl-4-pyridin-3-yl-1,3-thiazol-2-yl)methanamine has a molecular weight of 259.38 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopentyl-4-pyridin-3-yl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 82106833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).