4-(3,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine

C16H15N3O2S — CID 556017

IUPAC4-(3,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(Nc3ccccn3)n2)cc1OC
InChIInChI=1S/C16H15N3O2S/c1-20-13-7-6-11(9-14(13)21-2)12-10-22-16(18-12)19-15-5-3-4-8-17-15/h3-10H,1-2H3,(H,17,18,19)
InChIKeyIEXKLKFMQNIROW-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.97
Rot. Bonds5

About 4-(3,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine

4-(3,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine (PubChem CID 556017) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
PubChem CID556017
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name4-(3,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(Nc3ccccn3)n2)cc1OC
InChIInChI=1S/C16H15N3O2S/c1-20-13-7-6-11(9-14(13)21-2)12-10-22-16(18-12)19-15-5-3-4-8-17-15/h3-10H,1-2H3,(H,17,18,19)
InChIKeyIEXKLKFMQNIROW-UHFFFAOYSA-N
XLogP3.97
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chloro-2-pyridinyl)-4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 122499744
4-(2,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 25342683
4-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2877323
4-(4-ethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 29457657
4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;hydrochloride
CID 141248401
N-pyridin-2-yl-4-[4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine;N-pyridin-3-yl-4-[3-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine
CID 18428300
N-pyridin-2-yl-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
CID 122499786
4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 42645487
4-(3,4-dimethoxyphenyl)-2-(pyridin-2-ylmethyl)-1,3-thiazole
CID 31263481
2-(3,4-dimethoxyphenyl)-4-pyridin-2-yl-1,3-thiazole
CID 18707182
4-[4-(2,2-dimethylpropylamino)phenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 122499792
3-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]benzoate
CID 4224537

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine (CID 556017) is 4-(3,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine is COc1ccc(-c2csc(Nc3ccccn3)n2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
The InChIKey is IEXKLKFMQNIROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-20-13-7-6-11(9-14(13)21-2)12-10-22-16(18-12)19-15-5-3-4-8-17-15/h3-10H,1-2H3,(H,17,18,19).
What are the key properties of 4-(3,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
4-(3,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine has a molecular weight of 313.38 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 556017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).