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

C11H18ClN3S — CID 120781982

IUPAC1-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine
SMILESCC1(C)CN(Cc2ncc(Cl)s2)CCC1N
InChIInChI=1S/C11H18ClN3S/c1-11(2)7-15(4-3-8(11)13)6-10-14-5-9(12)16-10/h5,8H,3-4,6-7,13H2,1-2H3
InChIKeyJTGORPBKPXVIFU-UHFFFAOYSA-N
MW259.81 g/mol
LogP2.36
Rot. Bonds2

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

1-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine (PubChem CID 120781982) has the molecular formula C11H18ClN3S and a molecular weight of 259.81 g/mol. Its IUPAC name is 1-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine
PubChem CID120781982
Molecular FormulaC11H18ClN3S
Molecular Weight259.81 g/mol
Exact Mass259.09
IUPAC Name1-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine
SMILESCC1(C)CN(Cc2ncc(Cl)s2)CCC1N
InChIInChI=1S/C11H18ClN3S/c1-11(2)7-15(4-3-8(11)13)6-10-14-5-9(12)16-10/h5,8H,3-4,6-7,13H2,1-2H3
InChIKeyJTGORPBKPXVIFU-UHFFFAOYSA-N
XLogP2.36
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.81
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-1-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 120781510
3,3-dimethyl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
CID 120781587
1-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781712
1-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine
CID 104973704
3,3-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-amine
CID 120782277
5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 120782171
2-[1-[(5-chloro-1,3-thiazol-2-yl)methyl]piperidin-4-yl]ethanamine
CID 107124504
1-[(4,5-dichlorothiophen-3-yl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120847183
1-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120775322
3,3-dimethyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 120847158
3,3-dimethyl-1-(1,3-oxazol-4-ylmethyl)piperidin-4-amine
CID 120847083
1-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781403

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine (CID 120781982) is 1-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine is CC1(C)CN(Cc2ncc(Cl)s2)CCC1N.
What is the InChIKey of 1-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine?
The InChIKey is JTGORPBKPXVIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3S/c1-11(2)7-15(4-3-8(11)13)6-10-14-5-9(12)16-10/h5,8H,3-4,6-7,13H2,1-2H3.
What are the key properties of 1-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine?
1-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine has a molecular weight of 259.81 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 120781982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).