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

C14H25N3S — CID 61332937

IUPAC4-(4-tert-butyl-1,3-thiazol-2-yl)-N,1-dimethylpiperidin-4-amine
SMILESCNC1(c2nc(C(C)(C)C)cs2)CCN(C)CC1
InChIInChI=1S/C14H25N3S/c1-13(2,3)11-10-18-12(16-11)14(15-4)6-8-17(5)9-7-14/h10,15H,6-9H2,1-5H3
InChIKeySIXOAAHFTPUDLB-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.58
Rot. Bonds2

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

4-(4-tert-butyl-1,3-thiazol-2-yl)-N,1-dimethylpiperidin-4-amine (PubChem CID 61332937) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 4-(4-tert-butyl-1,3-thiazol-2-yl)-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name4-(4-tert-butyl-1,3-thiazol-2-yl)-N,1-dimethylpiperidin-4-amine
PubChem CID61332937
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name4-(4-tert-butyl-1,3-thiazol-2-yl)-N,1-dimethylpiperidin-4-amine
SMILESCNC1(c2nc(C(C)(C)C)cs2)CCN(C)CC1
InChIInChI=1S/C14H25N3S/c1-13(2,3)11-10-18-12(16-11)14(15-4)6-8-17(5)9-7-14/h10,15H,6-9H2,1-5H3
InChIKeySIXOAAHFTPUDLB-UHFFFAOYSA-N
XLogP2.58
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.58
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,1-dimethylpiperidin-4-amine?
The IUPAC name of 4-(4-tert-butyl-1,3-thiazol-2-yl)-N,1-dimethylpiperidin-4-amine (CID 61332937) is 4-(4-tert-butyl-1,3-thiazol-2-yl)-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for 4-(4-tert-butyl-1,3-thiazol-2-yl)-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for 4-(4-tert-butyl-1,3-thiazol-2-yl)-N,1-dimethylpiperidin-4-amine is CNC1(c2nc(C(C)(C)C)cs2)CCN(C)CC1.
What is the InChIKey of 4-(4-tert-butyl-1,3-thiazol-2-yl)-N,1-dimethylpiperidin-4-amine?
The InChIKey is SIXOAAHFTPUDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-13(2,3)11-10-18-12(16-11)14(15-4)6-8-17(5)9-7-14/h10,15H,6-9H2,1-5H3.
What are the key properties of 4-(4-tert-butyl-1,3-thiazol-2-yl)-N,1-dimethylpiperidin-4-amine?
4-(4-tert-butyl-1,3-thiazol-2-yl)-N,1-dimethylpiperidin-4-amine has a molecular weight of 267.44 g/mol, XLogP of 2.58, 2 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,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 61332937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).