1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methylpiperidin-4-amine

C14H25N3S — CID 119923466

IUPAC1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methylpiperidin-4-amine
SMILESCNC1CCN(Cc2nc(C(C)(C)C)cs2)CC1
InChIInChI=1S/C14H25N3S/c1-14(2,3)12-10-18-13(16-12)9-17-7-5-11(15-4)6-8-17/h10-11,15H,5-9H2,1-4H3
InChIKeyAYWSGHBGROGPIB-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.62
Rot. Bonds3

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

1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methylpiperidin-4-amine (PubChem CID 119923466) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methylpiperidin-4-amine
PubChem CID119923466
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methylpiperidin-4-amine
SMILESCNC1CCN(Cc2nc(C(C)(C)C)cs2)CC1
InChIInChI=1S/C14H25N3S/c1-14(2,3)12-10-18-13(16-12)9-17-7-5-11(15-4)6-8-17/h10-11,15H,5-9H2,1-4H3
InChIKeyAYWSGHBGROGPIB-UHFFFAOYSA-N
XLogP2.62
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 119917529
2-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-4-tert-butyl-1,3-thiazole
CID 80690042
2-[(4-bromo-3-methylpiperidin-1-yl)methyl]-4-tert-butyl-1,3-thiazole
CID 114682340
methyl (2R)-2-[1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]-2-hydroxyacetate
CID 97238863
4-tert-butyl-2-(1,4-diazepan-1-ylmethyl)-1,3-thiazole;dihydrochloride
CID 119906320
(S)-[1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 97092049
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpyrrolidin-3-ol
CID 103748001
N-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 119923292
3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N,3-dimethylcyclopentan-1-amine
CID 116539038
2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111834452
N-[1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine
CID 104931022
1-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]morpholin-2-yl]ethanamine
CID 81490860

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methylpiperidin-4-amine?
The IUPAC name of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methylpiperidin-4-amine (CID 119923466) is 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methylpiperidin-4-amine?
The canonical SMILES for 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methylpiperidin-4-amine is CNC1CCN(Cc2nc(C(C)(C)C)cs2)CC1.
What is the InChIKey of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methylpiperidin-4-amine?
The InChIKey is AYWSGHBGROGPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-14(2,3)12-10-18-13(16-12)9-17-7-5-11(15-4)6-8-17/h10-11,15H,5-9H2,1-4H3.
What are the key properties of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methylpiperidin-4-amine?
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methylpiperidin-4-amine has a molecular weight of 267.44 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 119923466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).