5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N,N-dimethyl-1,3-thiazol-2-amine

C13H24N4S — CID 120782171

IUPAC5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCN(C)c1ncc(CN2CCC(N)C(C)(C)C2)s1
InChIInChI=1S/C13H24N4S/c1-13(2)9-17(6-5-11(13)14)8-10-7-15-12(18-10)16(3)4/h7,11H,5-6,8-9,14H2,1-4H3
InChIKeyGDVBUZZHDDMKEG-UHFFFAOYSA-N
MW268.43 g/mol
LogP1.77
Rot. Bonds3

About 5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N,N-dimethyl-1,3-thiazol-2-amine

5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N,N-dimethyl-1,3-thiazol-2-amine (PubChem CID 120782171) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is 5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N,N-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
PubChem CID120782171
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC Name5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCN(C)c1ncc(CN2CCC(N)C(C)(C)C2)s1
InChIInChI=1S/C13H24N4S/c1-13(2)9-17(6-5-11(13)14)8-10-7-15-12(18-10)16(3)4/h7,11H,5-6,8-9,14H2,1-4H3
InChIKeyGDVBUZZHDDMKEG-UHFFFAOYSA-N
XLogP1.77
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781712
3,3-dimethyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 120847158
3,3-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-amine
CID 120782277
1-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781982
3,3-dimethyl-1-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 120781510
5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-N,N-dimethyl-1,3-thiazol-2-amine;hydrochloride
CID 120907392
N-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methanesulfonamide
CID 70716729
3,3-dimethyl-1-(1,3-oxazol-4-ylmethyl)piperidin-4-amine
CID 120847083
3,3-dimethyl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
CID 120781587
N,N-dimethyl-5-[[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 95893735
N,N-dimethyl-5-[[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 70768932
3,3-dimethyl-1-[(5-phenylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride
CID 120782200

Frequently Asked Questions

What is the IUPAC name of 5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N,N-dimethyl-1,3-thiazol-2-amine (CID 120782171) is 5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N,N-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N,N-dimethyl-1,3-thiazol-2-amine is CN(C)c1ncc(CN2CCC(N)C(C)(C)C2)s1.
What is the InChIKey of 5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
The InChIKey is GDVBUZZHDDMKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-13(2)9-17(6-5-11(13)14)8-10-7-15-12(18-10)16(3)4/h7,11H,5-6,8-9,14H2,1-4H3.
What are the key properties of 5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N,N-dimethyl-1,3-thiazol-2-amine has a molecular weight of 268.43 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N,N-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 120782171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).