N-[(2-methoxyphenyl)methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine

C12H15N3OS — CID 171324166

IUPACN-[(2-methoxyphenyl)methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCOc1ccccc1CN(C)c1nnc(C)s1
InChIInChI=1S/C12H15N3OS/c1-9-13-14-12(17-9)15(2)8-10-6-4-5-7-11(10)16-3/h4-7H,8H2,1-3H3
InChIKeyPLQJNDURPINDDN-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.49
Rot. Bonds4

About N-[(2-methoxyphenyl)methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine

N-[(2-methoxyphenyl)methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 171324166) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID171324166
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC NameN-[(2-methoxyphenyl)methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCOc1ccccc1CN(C)c1nnc(C)s1
InChIInChI=1S/C12H15N3OS/c1-9-13-14-12(17-9)15(2)8-10-6-4-5-7-11(10)16-3/h4-7H,8H2,1-3H3
InChIKeyPLQJNDURPINDDN-UHFFFAOYSA-N
XLogP2.49
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-2-amine
CID 171327101
[2-[(2-methoxyphenyl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79396852
6-chloro-N-[(2-methoxyphenyl)methyl]-N,4,5-trimethylpyridazin-3-amine
CID 63271464
methyl 2-[(2-methoxyphenyl)methyl-methylamino]-1,3-thiazole-4-carboxylate
CID 115423885
2-N-[(2-methoxyphenyl)methyl]-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 64977099
6-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyrazin-2-amine
CID 54940770
3-[2-[(2-methoxyphenyl)methyl-methylamino]-1,3-thiazol-4-yl]propanoic acid
CID 103486763
5-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 133382271
3-bromo-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 61418333
5-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106970851
N-[(2-methoxyphenyl)methyl]-N-methyl-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106970850
3-[(2-methoxyphenyl)methyl-methylamino]pyrazine-2-carbothioamide
CID 62684959

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine (CID 171324166) is N-[(2-methoxyphenyl)methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine is COc1ccccc1CN(C)c1nnc(C)s1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is PLQJNDURPINDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-9-13-14-12(17-9)15(2)8-10-6-4-5-7-11(10)16-3/h4-7H,8H2,1-3H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine?
N-[(2-methoxyphenyl)methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 249.34 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 171324166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).