4-(chloromethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine

C12H14ClN3S — CID 105067467

IUPAC4-(chloromethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine
SMILESCc1ncsc1CN(C)c1cnccc1CCl
InChIInChI=1S/C12H14ClN3S/c1-9-12(17-8-15-9)7-16(2)11-6-14-4-3-10(11)5-13/h3-4,6,8H,5,7H2,1-2H3
InChIKeyQNJHSJYRMWNVST-UHFFFAOYSA-N
MW267.79 g/mol
LogP3.22
Rot. Bonds4

About 4-(chloromethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine

4-(chloromethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine (PubChem CID 105067467) has the molecular formula C12H14ClN3S and a molecular weight of 267.79 g/mol. Its IUPAC name is 4-(chloromethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine
PubChem CID105067467
Molecular FormulaC12H14ClN3S
Molecular Weight267.79 g/mol
Exact Mass267.06
IUPAC Name4-(chloromethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine
SMILESCc1ncsc1CN(C)c1cnccc1CCl
InChIInChI=1S/C12H14ClN3S/c1-9-12(17-8-15-9)7-16(2)11-6-14-4-3-10(11)5-13/h3-4,6,8H,5,7H2,1-2H3
InChIKeyQNJHSJYRMWNVST-UHFFFAOYSA-N
XLogP3.22
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.79
LogP ≤ 53.22
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

3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyridine-4-carboxylic acid
CID 114288707
4-(chloromethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine
CID 105067321
N-benzyl-4-(chloromethyl)-N-methylpyridin-3-amine
CID 105067251
3-(chloromethyl)-5-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine
CID 114034777
4-(chloromethyl)-N,N-dimethylpyridin-3-amine
CID 105067273
3-N-methyl-3-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,3-diamine
CID 104540410
3-chloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-nitroaniline
CID 113459308
2-(ethylaminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 63836968
5-fluoro-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]benzonitrile
CID 63836383
4-chloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]but-2-en-1-amine
CID 77051357
4,5-difluoro-2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzene-1,2-diamine
CID 112751823
4-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine
CID 107542037

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine?
The IUPAC name of 4-(chloromethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine (CID 105067467) is 4-(chloromethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 4-(chloromethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine?
The canonical SMILES for 4-(chloromethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine is Cc1ncsc1CN(C)c1cnccc1CCl.
What is the InChIKey of 4-(chloromethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine?
The InChIKey is QNJHSJYRMWNVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3S/c1-9-12(17-8-15-9)7-16(2)11-6-14-4-3-10(11)5-13/h3-4,6,8H,5,7H2,1-2H3.
What are the key properties of 4-(chloromethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine?
4-(chloromethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine has a molecular weight of 267.79 g/mol, XLogP of 3.22, 4 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-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 105067467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).