1-tert-butyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-amine

C15H27N3S — CID 54866710

IUPAC1-tert-butyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-amine
SMILESCc1ncsc1C(C)NC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H27N3S/c1-11-14(19-10-16-11)12(2)17-13-6-8-18(9-7-13)15(3,4)5/h10,12-13,17H,6-9H2,1-5H3
InChIKeyIBCGQMGMIFKFJQ-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.37
Rot. Bonds3

About 1-tert-butyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-amine

1-tert-butyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-amine (PubChem CID 54866710) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 1-tert-butyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-amine
PubChem CID54866710
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name1-tert-butyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-amine
SMILESCc1ncsc1C(C)NC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H27N3S/c1-11-14(19-10-16-11)12(2)17-13-6-8-18(9-7-13)15(3,4)5/h10,12-13,17H,6-9H2,1-5H3
InChIKeyIBCGQMGMIFKFJQ-UHFFFAOYSA-N
XLogP3.37
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-amine
CID 43791348
tert-butyl 2-methyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate
CID 107094437
1-tert-butyl-N-[1-(2-methylpyrazol-3-yl)ethyl]piperidin-4-amine
CID 106757617
1-tert-butyl-N-[1-(4-chlorophenyl)ethyl]piperidin-4-amine
CID 60931192
tert-butyl 2-methyl-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate
CID 104955758
4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]oxolan-3-ol
CID 115923399
N-(cyclopentylmethyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 43775593
2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 112699088
2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-5-yl)acetic acid
CID 102765843
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 43764830
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 60855473
2,3,3-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine
CID 81338939

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1-tert-butyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-amine (CID 54866710) is 1-tert-butyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-tert-butyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-tert-butyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-amine is Cc1ncsc1C(C)NC1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-amine?
The InChIKey is IBCGQMGMIFKFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-11-14(19-10-16-11)12(2)17-13-6-8-18(9-7-13)15(3,4)5/h10,12-13,17H,6-9H2,1-5H3.
What are the key properties of 1-tert-butyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-amine?
1-tert-butyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-amine has a molecular weight of 281.47 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 54866710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).