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

C17H31N3S — CID 61335761

IUPAC4-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethyl-N-propylpiperidin-4-amine
SMILESCCCNC1(c2nc(C(C)(C)C)cs2)CCN(CC)CC1
InChIInChI=1S/C17H31N3S/c1-6-10-18-17(8-11-20(7-2)12-9-17)15-19-14(13-21-15)16(3,4)5/h13,18H,6-12H2,1-5H3
InChIKeyFBOQLMJWNXUKPS-UHFFFAOYSA-N
MW309.52 g/mol
LogP3.75
Rot. Bonds5

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

4-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethyl-N-propylpiperidin-4-amine (PubChem CID 61335761) has the molecular formula C17H31N3S and a molecular weight of 309.52 g/mol. Its IUPAC name is 4-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethyl-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name4-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethyl-N-propylpiperidin-4-amine
PubChem CID61335761
Molecular FormulaC17H31N3S
Molecular Weight309.52 g/mol
Exact Mass309.22
IUPAC Name4-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethyl-N-propylpiperidin-4-amine
SMILESCCCNC1(c2nc(C(C)(C)C)cs2)CCN(CC)CC1
InChIInChI=1S/C17H31N3S/c1-6-10-18-17(8-11-20(7-2)12-9-17)15-19-14(13-21-15)16(3,4)5/h13,18H,6-12H2,1-5H3
InChIKeyFBOQLMJWNXUKPS-UHFFFAOYSA-N
XLogP3.75
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

{1-[(2-Methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl}methanamine
CID 50987749
1-(4-Tert-butyl-1,3-thiazol-2-yl)ethan-1-amine
CID 4016996
4-(4-Methyl-1,3-thiazol-2-yl)piperidine
CID 23404938
3-(4-Methyl-1,3-thiazol-2-yl)piperidine
CID 24261803
4-(4-Ethyl-1,3-thiazol-2-yl)piperidine
CID 24261827
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-3-azaspiro[5.5]undecan-9-amine
CID 56721252
1-[(4-Tert-butyl-1,3-thiazol-2-yl)methyl]piperazine
CID 28750248
1-[(4-Cyclopropyl-1,3-thiazol-2-yl)methyl]piperazine
CID 33679614
2-(4-Tert-butyl-1,3-thiazol-2-yl)ethan-1-amine
CID 5042001
3-(4-Ethyl-1,3-thiazol-2-yl)piperidine
CID 24261805
3-(4-(Propan-2-yl)-1,3-thiazol-2-yl)piperidine
CID 24261806
[1-(4-Tert-butyl-1,3-thiazol-2-yl)ethyl](methyl)amine dihydrochloride
CID 165871757

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethyl-N-propylpiperidin-4-amine?
The IUPAC name of 4-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethyl-N-propylpiperidin-4-amine (CID 61335761) is 4-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethyl-N-propylpiperidin-4-amine.
What is the SMILES notation for 4-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethyl-N-propylpiperidin-4-amine?
The canonical SMILES for 4-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethyl-N-propylpiperidin-4-amine is CCCNC1(c2nc(C(C)(C)C)cs2)CCN(CC)CC1.
What is the InChIKey of 4-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethyl-N-propylpiperidin-4-amine?
The InChIKey is FBOQLMJWNXUKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3S/c1-6-10-18-17(8-11-20(7-2)12-9-17)15-19-14(13-21-15)16(3,4)5/h13,18H,6-12H2,1-5H3.
What are the key properties of 4-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethyl-N-propylpiperidin-4-amine?
4-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethyl-N-propylpiperidin-4-amine has a molecular weight of 309.52 g/mol, XLogP of 3.75, 5 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)-1-ethyl-N-propylpiperidin-4-amine is sourced from PubChem (CID 61335761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).