[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylpiperidin-3-yl]methanamine

C11H18ClN3S — CID 114961053

IUPAC[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylpiperidin-3-yl]methanamine
SMILESCC1CCN(Cc2cnc(Cl)s2)CC1CN
InChIInChI=1S/C11H18ClN3S/c1-8-2-3-15(6-9(8)4-13)7-10-5-14-11(12)16-10/h5,8-9H,2-4,6-7,13H2,1H3
InChIKeySBHAWXBTZUAIRK-UHFFFAOYSA-N
MW259.81 g/mol
LogP2.21
Rot. Bonds3

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

[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylpiperidin-3-yl]methanamine (PubChem CID 114961053) has the molecular formula C11H18ClN3S and a molecular weight of 259.81 g/mol. Its IUPAC name is [1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylpiperidin-3-yl]methanamine
PubChem CID114961053
Molecular FormulaC11H18ClN3S
Molecular Weight259.81 g/mol
Exact Mass259.09
IUPAC Name[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylpiperidin-3-yl]methanamine
SMILESCC1CCN(Cc2cnc(Cl)s2)CC1CN
InChIInChI=1S/C11H18ClN3S/c1-8-2-3-15(6-9(8)4-13)7-10-5-14-11(12)16-10/h5,8-9H,2-4,6-7,13H2,1H3
InChIKeySBHAWXBTZUAIRK-UHFFFAOYSA-N
XLogP2.21
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.81
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-thiazole
CID 79765489
(3S)-1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-3-amine
CID 86318021
2-chloro-5-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 71639382
[1-[(4-ethylphenyl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114960117
(3R,4S)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine
CID 94247072
[4-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanamine
CID 114959813
[4-methyl-1-(1,2-oxazol-5-ylmethyl)piperidin-3-yl]methanamine
CID 114960967
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,N-dimethylpiperidin-3-amine
CID 79764841
[4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]methanamine
CID 114961443
2-chloro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 79764598
tert-butyl N-[[(3S)-1-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]carbamate
CID 96548073
[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114961231

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylpiperidin-3-yl]methanamine?
The IUPAC name of [1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylpiperidin-3-yl]methanamine (CID 114961053) is [1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylpiperidin-3-yl]methanamine.
What is the SMILES notation for [1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylpiperidin-3-yl]methanamine?
The canonical SMILES for [1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylpiperidin-3-yl]methanamine is CC1CCN(Cc2cnc(Cl)s2)CC1CN.
What is the InChIKey of [1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylpiperidin-3-yl]methanamine?
The InChIKey is SBHAWXBTZUAIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3S/c1-8-2-3-15(6-9(8)4-13)7-10-5-14-11(12)16-10/h5,8-9H,2-4,6-7,13H2,1H3.
What are the key properties of [1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylpiperidin-3-yl]methanamine?
[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylpiperidin-3-yl]methanamine has a molecular weight of 259.81 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylpiperidin-3-yl]methanamine is sourced from PubChem (CID 114961053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).