4-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-thiazol-2-amine

C11H12ClN3S — CID 83155755

IUPAC4-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-thiazol-2-amine
SMILESCc1cccc(CN(C)c2nc(Cl)cs2)n1
InChIInChI=1S/C11H12ClN3S/c1-8-4-3-5-9(13-8)6-15(2)11-14-10(12)7-16-11/h3-5,7H,6H2,1-2H3
InChIKeyOEKREYUDBNILHC-UHFFFAOYSA-N
MW253.76 g/mol
LogP3.14
Rot. Bonds3

About 4-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-thiazol-2-amine

4-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-thiazol-2-amine (PubChem CID 83155755) has the molecular formula C11H12ClN3S and a molecular weight of 253.76 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-thiazol-2-amine
PubChem CID83155755
Molecular FormulaC11H12ClN3S
Molecular Weight253.76 g/mol
Exact Mass253.04
IUPAC Name4-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-thiazol-2-amine
SMILESCc1cccc(CN(C)c2nc(Cl)cs2)n1
InChIInChI=1S/C11H12ClN3S/c1-8-4-3-5-9(13-8)6-15(2)11-14-10(12)7-16-11/h3-5,7H,6H2,1-2H3
InChIKeyOEKREYUDBNILHC-UHFFFAOYSA-N
XLogP3.14
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.76
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,3-thiazole-4-carboxylate
CID 113307307
4-chloro-N-[(2-chlorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine
CID 83156449
4-chloro-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine
CID 83156203
2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-4-amine
CID 102824317
4-chloro-N,N-dimethyl-1,3-thiazol-2-amine
CID 68840678
6-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 79004101
6-chloro-2-cyclopropyl-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 80951090
4-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 79004039
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 23402951
[3-chloro-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]phenyl]methanol
CID 81152345
ethane;N-methyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 143432699
4-chloro-N-methyl-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 83156832

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-thiazol-2-amine (CID 83155755) is 4-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-thiazol-2-amine is Cc1cccc(CN(C)c2nc(Cl)cs2)n1.
What is the InChIKey of 4-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is OEKREYUDBNILHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3S/c1-8-4-3-5-9(13-8)6-15(2)11-14-10(12)7-16-11/h3-5,7H,6H2,1-2H3.
What are the key properties of 4-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-thiazol-2-amine?
4-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 253.76 g/mol, XLogP of 3.14, 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-[(6-methyl-2-pyridinyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 83155755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).