4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile

C15H21N3S — CID 82437848

IUPAC4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile
SMILESCC1CCN(CCc2nc(C3CC3)c(C#N)s2)CC1
InChIInChI=1S/C15H21N3S/c1-11-4-7-18(8-5-11)9-6-14-17-15(12-2-3-12)13(10-16)19-14/h11-12H,2-9H2,1H3
InChIKeyUTTFDXWEVDQWAM-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.17
Rot. Bonds4

About 4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile

4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile (PubChem CID 82437848) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile
PubChem CID82437848
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile
SMILESCC1CCN(CCc2nc(C3CC3)c(C#N)s2)CC1
InChIInChI=1S/C15H21N3S/c1-11-4-7-18(8-5-11)9-6-14-17-15(12-2-3-12)13(10-16)19-14/h11-12H,2-9H2,1H3
InChIKeyUTTFDXWEVDQWAM-UHFFFAOYSA-N
XLogP3.17
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile (CID 82437848) is 4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile is CC1CCN(CCc2nc(C3CC3)c(C#N)s2)CC1.
What is the InChIKey of 4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile?
The InChIKey is UTTFDXWEVDQWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-11-4-7-18(8-5-11)9-6-14-17-15(12-2-3-12)13(10-16)19-14/h11-12H,2-9H2,1H3.
What are the key properties of 4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile?
4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile has a molecular weight of 275.42 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 82437848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).