4-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine

C11H18ClN3S — CID 43532067

IUPAC4-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
SMILESCN1CCC(N(C)c2nc(CCl)cs2)CC1
InChIInChI=1S/C11H18ClN3S/c1-14-5-3-10(4-6-14)15(2)11-13-9(7-12)8-16-11/h8,10H,3-7H2,1-2H3
InChIKeyDCUYLNVRUBXXOC-UHFFFAOYSA-N
MW259.81 g/mol
LogP2.41
Rot. Bonds3

About 4-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine

4-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine (PubChem CID 43532067) has the molecular formula C11H18ClN3S and a molecular weight of 259.81 g/mol. Its IUPAC name is 4-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
PubChem CID43532067
Molecular FormulaC11H18ClN3S
Molecular Weight259.81 g/mol
Exact Mass259.09
IUPAC Name4-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
SMILESCN1CCC(N(C)c2nc(CCl)cs2)CC1
InChIInChI=1S/C11H18ClN3S/c1-14-5-3-10(4-6-14)15(2)11-13-9(7-12)8-16-11/h8,10H,3-7H2,1-2H3
InChIKeyDCUYLNVRUBXXOC-UHFFFAOYSA-N
XLogP2.41
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.81
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(chloromethyl)-N-cyclopropyl-N-methyl-1,3-thiazol-2-amine;hydrochloride
CID 71755793
4-(chloromethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1,3-thiazol-2-amine
CID 62547867
2-chloro-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-thiazol-4-yl]ethanone
CID 113392188
4-chloro-N-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine
CID 130598303
N-cyclopropyl-4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine
CID 71915898
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide
CID 63275198
N-[2-[4-(2-aminoethyl)-1,3-thiazol-2-yl]propyl]-N,1-dimethylpiperidin-4-amine
CID 82163081
ethyl 2-[2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazol-4-yl]acetate
CID 80574132
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 82547581
2-[2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 80576870
methyl 3-[2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazol-4-yl]propanoate
CID 107040183
[4-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone
CID 97232300

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine (CID 43532067) is 4-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine is CN1CCC(N(C)c2nc(CCl)cs2)CC1.
What is the InChIKey of 4-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine?
The InChIKey is DCUYLNVRUBXXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3S/c1-14-5-3-10(4-6-14)15(2)11-13-9(7-12)8-16-11/h8,10H,3-7H2,1-2H3.
What are the key properties of 4-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine?
4-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine has a molecular weight of 259.81 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 43532067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).