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

C11H18ClN3S — CID 83156478

IUPAC4-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine
SMILESCN1CCC(CN(C)c2nc(Cl)cs2)CC1
InChIInChI=1S/C11H18ClN3S/c1-14-5-3-9(4-6-14)7-15(2)11-13-10(12)8-16-11/h8-9H,3-7H2,1-2H3
InChIKeyTXILFNYGAAXMLR-UHFFFAOYSA-N
MW259.81 g/mol
LogP2.57
Rot. Bonds3

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

4-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 83156478) has the molecular formula C11H18ClN3S and a molecular weight of 259.81 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine
PubChem CID83156478
Molecular FormulaC11H18ClN3S
Molecular Weight259.81 g/mol
Exact Mass259.09
IUPAC Name4-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine
SMILESCN1CCC(CN(C)c2nc(Cl)cs2)CC1
InChIInChI=1S/C11H18ClN3S/c1-14-5-3-9(4-6-14)7-15(2)11-13-10(12)8-16-11/h8-9H,3-7H2,1-2H3
InChIKeyTXILFNYGAAXMLR-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine
CID 79399549
2-[2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 80576870
4-chloro-N-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine
CID 130598303
6-chloro-N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 63235310
6-chloro-2-ethyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 80936193
6-chloro-2-cyclopropyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 80951503
3-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-amine
CID 63235390
6-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 80951430
4-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazol-2-amine
CID 114516015
4-chloro-N,N-dimethyl-1,3-thiazol-2-amine
CID 68840678
6-chloro-5-ethyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 63729717
2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,3-benzothiazole-2,6-diamine
CID 63233465

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine (CID 83156478) is 4-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine is CN1CCC(CN(C)c2nc(Cl)cs2)CC1.
What is the InChIKey of 4-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is TXILFNYGAAXMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3S/c1-14-5-3-9(4-6-14)7-15(2)11-13-10(12)8-16-11/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine?
4-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 259.81 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 83156478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).