N-(4-chloro-2-pyridinyl)-4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine

C16H14ClN3O2S — CID 122499744

IUPACN-(4-chloro-2-pyridinyl)-4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(Nc3cc(Cl)ccn3)n2)cc1OC
InChIInChI=1S/C16H14ClN3O2S/c1-21-13-4-3-10(7-14(13)22-2)12-9-23-16(19-12)20-15-8-11(17)5-6-18-15/h3-9H,1-2H3,(H,18,19,20)
InChIKeyNCUCJKIPXSTIQC-UHFFFAOYSA-N
MW347.83 g/mol
LogP4.62
Rot. Bonds5

About N-(4-chloro-2-pyridinyl)-4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine

N-(4-chloro-2-pyridinyl)-4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 122499744) has the molecular formula C16H14ClN3O2S and a molecular weight of 347.83 g/mol. Its IUPAC name is N-(4-chloro-2-pyridinyl)-4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-chloro-2-pyridinyl)-4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine
PubChem CID122499744
Molecular FormulaC16H14ClN3O2S
Molecular Weight347.83 g/mol
Exact Mass347.05
IUPAC NameN-(4-chloro-2-pyridinyl)-4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(Nc3cc(Cl)ccn3)n2)cc1OC
InChIInChI=1S/C16H14ClN3O2S/c1-21-13-4-3-10(7-14(13)22-2)12-9-23-16(19-12)20-15-8-11(17)5-6-18-15/h3-9H,1-2H3,(H,18,19,20)
InChIKeyNCUCJKIPXSTIQC-UHFFFAOYSA-N
XLogP4.62
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.83
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 556017
4-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2877323
4-chloro-2-(3,4-dimethoxyphenyl)pyridine
CID 102825072
4-chloro-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 28550985
2,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 1259227
3,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 5005400
4-(3,4-dichlorophenyl)-N-[4-[4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-3-methoxyphenyl]-2-methoxyphenyl]-1,3-thiazol-2-amine
CID 127037401
4-(3-chloro-4-methoxyphenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 166194851
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 110532002
4-(2,4-dichlorophenoxy)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 19183987
4-(4-bromophenyl)-N-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-amine
CID 142697325
3-chloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 6491053

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridinyl)-4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(4-chloro-2-pyridinyl)-4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine (CID 122499744) is N-(4-chloro-2-pyridinyl)-4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-chloro-2-pyridinyl)-4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-chloro-2-pyridinyl)-4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine is COc1ccc(-c2csc(Nc3cc(Cl)ccn3)n2)cc1OC.
What is the InChIKey of N-(4-chloro-2-pyridinyl)-4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is NCUCJKIPXSTIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2S/c1-21-13-4-3-10(7-14(13)22-2)12-9-23-16(19-12)20-15-8-11(17)5-6-18-15/h3-9H,1-2H3,(H,18,19,20).
What are the key properties of N-(4-chloro-2-pyridinyl)-4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine?
N-(4-chloro-2-pyridinyl)-4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 347.83 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyridinyl)-4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 122499744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).