N-[(3,5-dimethoxyphenyl)methyl]-N-methyl-[1,3]thiazolo[4,5-c]pyridin-2-amine

C16H17N3O2S — CID 171336258

IUPACN-[(3,5-dimethoxyphenyl)methyl]-N-methyl-[1,3]thiazolo[4,5-c]pyridin-2-amine
SMILESCOc1cc(CN(C)c2nc3cnccc3s2)cc(OC)c1
InChIInChI=1S/C16H17N3O2S/c1-19(16-18-14-9-17-5-4-15(14)22-16)10-11-6-12(20-2)8-13(7-11)21-3/h4-9H,10H2,1-3H3
InChIKeyCCZFKYRJKACXNT-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.34
Rot. Bonds5

About N-[(3,5-dimethoxyphenyl)methyl]-N-methyl-[1,3]thiazolo[4,5-c]pyridin-2-amine

N-[(3,5-dimethoxyphenyl)methyl]-N-methyl-[1,3]thiazolo[4,5-c]pyridin-2-amine (PubChem CID 171336258) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-N-methyl-[1,3]thiazolo[4,5-c]pyridin-2-amine.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-N-methyl-[1,3]thiazolo[4,5-c]pyridin-2-amine
PubChem CID171336258
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-N-methyl-[1,3]thiazolo[4,5-c]pyridin-2-amine
SMILESCOc1cc(CN(C)c2nc3cnccc3s2)cc(OC)c1
InChIInChI=1S/C16H17N3O2S/c1-19(16-18-14-9-17-5-4-15(14)22-16)10-11-6-12(20-2)8-13(7-11)21-3/h4-9H,10H2,1-3H3
InChIKeyCCZFKYRJKACXNT-UHFFFAOYSA-N
XLogP3.34
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-[(3,5-dimethoxyphenyl)methyl]-N-methylpyridin-4-amine
CID 171335993
N-methyl-N-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-amine
CID 37144332
N-[(3-methoxyphenyl)methyl]-N-methyl-6-nitro-1,3-benzothiazol-2-amine
CID 56553545
N,6-dimethyl-N-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-amine
CID 171702591
3,5-dimethoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 40995717
methyl 2-[(3-methoxyphenyl)methyl-methylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 115424187
1-(3,5-dimethoxyphenyl)-2-[5-([1,3]thiazolo[4,5-c]pyridin-2-yl)thiophen-2-yl]ethanone
CID 58067339
2-[(3,5-dimethoxyphenyl)methylsulfanyl]-3H-imidazo[4,5-c]pyridine
CID 15037656
N-(1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 43966667
3,5-dimethoxy-N-[5-([1,3]thiazolo[4,5-c]pyridin-2-yl)thiophen-2-yl]benzamide
CID 59680300
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 40982979
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 43966676

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-N-methyl-[1,3]thiazolo[4,5-c]pyridin-2-amine?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-N-methyl-[1,3]thiazolo[4,5-c]pyridin-2-amine (CID 171336258) is N-[(3,5-dimethoxyphenyl)methyl]-N-methyl-[1,3]thiazolo[4,5-c]pyridin-2-amine.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-N-methyl-[1,3]thiazolo[4,5-c]pyridin-2-amine?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-N-methyl-[1,3]thiazolo[4,5-c]pyridin-2-amine is COc1cc(CN(C)c2nc3cnccc3s2)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-N-methyl-[1,3]thiazolo[4,5-c]pyridin-2-amine?
The InChIKey is CCZFKYRJKACXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-19(16-18-14-9-17-5-4-15(14)22-16)10-11-6-12(20-2)8-13(7-11)21-3/h4-9H,10H2,1-3H3.
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-N-methyl-[1,3]thiazolo[4,5-c]pyridin-2-amine?
N-[(3,5-dimethoxyphenyl)methyl]-N-methyl-[1,3]thiazolo[4,5-c]pyridin-2-amine has a molecular weight of 315.40 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methyl]-N-methyl-[1,3]thiazolo[4,5-c]pyridin-2-amine is sourced from PubChem (CID 171336258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).