4-(4-tert-butyl-1,3-thiazol-2-yl)-N-cyclopropyl-1-methylpiperidin-4-amine

C16H27N3S — CID 61333512

IUPAC4-(4-tert-butyl-1,3-thiazol-2-yl)-N-cyclopropyl-1-methylpiperidin-4-amine
SMILESCN1CCC(NC2CC2)(c2nc(C(C)(C)C)cs2)CC1
InChIInChI=1S/C16H27N3S/c1-15(2,3)13-11-20-14(17-13)16(18-12-5-6-12)7-9-19(4)10-8-16/h11-12,18H,5-10H2,1-4H3
InChIKeyOEALXPBHRYVNSL-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.11
Rot. Bonds3

About 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-cyclopropyl-1-methylpiperidin-4-amine

4-(4-tert-butyl-1,3-thiazol-2-yl)-N-cyclopropyl-1-methylpiperidin-4-amine (PubChem CID 61333512) has the molecular formula C16H27N3S and a molecular weight of 293.48 g/mol. Its IUPAC name is 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-cyclopropyl-1-methylpiperidin-4-amine.

Molecular Properties

Compound Name4-(4-tert-butyl-1,3-thiazol-2-yl)-N-cyclopropyl-1-methylpiperidin-4-amine
PubChem CID61333512
Molecular FormulaC16H27N3S
Molecular Weight293.48 g/mol
Exact Mass293.19
IUPAC Name4-(4-tert-butyl-1,3-thiazol-2-yl)-N-cyclopropyl-1-methylpiperidin-4-amine
SMILESCN1CCC(NC2CC2)(c2nc(C(C)(C)C)cs2)CC1
InChIInChI=1S/C16H27N3S/c1-15(2,3)13-11-20-14(17-13)16(18-12-5-6-12)7-9-19(4)10-8-16/h11-12,18H,5-10H2,1-4H3
InChIKeyOEALXPBHRYVNSL-UHFFFAOYSA-N
XLogP3.11
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-cyclopropyl-1-methylpiperidin-4-amine?
The IUPAC name of 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-cyclopropyl-1-methylpiperidin-4-amine (CID 61333512) is 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-cyclopropyl-1-methylpiperidin-4-amine.
What is the SMILES notation for 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-cyclopropyl-1-methylpiperidin-4-amine?
The canonical SMILES for 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-cyclopropyl-1-methylpiperidin-4-amine is CN1CCC(NC2CC2)(c2nc(C(C)(C)C)cs2)CC1.
What is the InChIKey of 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-cyclopropyl-1-methylpiperidin-4-amine?
The InChIKey is OEALXPBHRYVNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S/c1-15(2,3)13-11-20-14(17-13)16(18-12-5-6-12)7-9-19(4)10-8-16/h11-12,18H,5-10H2,1-4H3.
What are the key properties of 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-cyclopropyl-1-methylpiperidin-4-amine?
4-(4-tert-butyl-1,3-thiazol-2-yl)-N-cyclopropyl-1-methylpiperidin-4-amine has a molecular weight of 293.48 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-cyclopropyl-1-methylpiperidin-4-amine is sourced from PubChem (CID 61333512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).