1-[2-(3,5-dichloro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine

C12H13Cl2N3OS — CID 114365970

IUPAC1-[2-(3,5-dichloro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(-c2ncc(Cl)cc2Cl)nc1COC
InChIInChI=1S/C12H13Cl2N3OS/c1-15-5-10-9(6-18-2)17-12(19-10)11-8(14)3-7(13)4-16-11/h3-4,15H,5-6H2,1-2H3
InChIKeyKJWRTISNRMGRSH-UHFFFAOYSA-N
MW318.23 g/mol
LogP3.38
Rot. Bonds5

About 1-[2-(3,5-dichloro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine

1-[2-(3,5-dichloro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 114365970) has the molecular formula C12H13Cl2N3OS and a molecular weight of 318.23 g/mol. Its IUPAC name is 1-[2-(3,5-dichloro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3,5-dichloro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID114365970
Molecular FormulaC12H13Cl2N3OS
Molecular Weight318.23 g/mol
Exact Mass317.02
IUPAC Name1-[2-(3,5-dichloro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(-c2ncc(Cl)cc2Cl)nc1COC
InChIInChI=1S/C12H13Cl2N3OS/c1-15-5-10-9(6-18-2)17-12(19-10)11-8(14)3-7(13)4-16-11/h3-4,15H,5-6H2,1-2H3
InChIKeyKJWRTISNRMGRSH-UHFFFAOYSA-N
XLogP3.38
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.23
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(3,5-dichloro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366495
1-[2-(3,5-dimethyl-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114365944
1-[2-(3-ethyl-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114365915
2-(3,5-dichloro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazole
CID 107512046
1-[4-(methoxymethyl)-2-thiophen-3-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366006
1-[2-(3-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366087
N-[[2-(3,5-dimethyl-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114366327
1-[4-(methoxymethyl)-2-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82439850
1-[2-[(2,6-dichlorophenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366065
1-[4-(methoxymethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 106849687
1-[2-(4-bromo-2-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 103083898
5-bromo-2-(3,5-dichloro-2-pyridinyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 79780264

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dichloro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3,5-dichloro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine (CID 114365970) is 1-[2-(3,5-dichloro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3,5-dichloro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3,5-dichloro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1sc(-c2ncc(Cl)cc2Cl)nc1COC.
What is the InChIKey of 1-[2-(3,5-dichloro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is KJWRTISNRMGRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3OS/c1-15-5-10-9(6-18-2)17-12(19-10)11-8(14)3-7(13)4-16-11/h3-4,15H,5-6H2,1-2H3.
What are the key properties of 1-[2-(3,5-dichloro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-(3,5-dichloro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 318.23 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dichloro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 114365970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).