4-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine

C17H13ClN2O2S — CID 51109711

IUPAC4-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine
SMILESClc1ccc(-c2csc(Nc3ccc4c(c3)OCCO4)n2)cc1
InChIInChI=1S/C17H13ClN2O2S/c18-12-3-1-11(2-4-12)14-10-23-17(20-14)19-13-5-6-15-16(9-13)22-8-7-21-15/h1-6,9-10H,7-8H2,(H,19,20)
InChIKeyPLOPMRKSWYEVAL-UHFFFAOYSA-N
MW344.82 g/mol
LogP4.98
Rot. Bonds3

About 4-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine

4-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine (PubChem CID 51109711) has the molecular formula C17H13ClN2O2S and a molecular weight of 344.82 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine
PubChem CID51109711
Molecular FormulaC17H13ClN2O2S
Molecular Weight344.82 g/mol
Exact Mass344.04
IUPAC Name4-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine
SMILESClc1ccc(-c2csc(Nc3ccc4c(c3)OCCO4)n2)cc1
InChIInChI=1S/C17H13ClN2O2S/c18-12-3-1-11(2-4-12)14-10-23-17(20-14)19-13-5-6-15-16(9-13)22-8-7-21-15/h1-6,9-10H,7-8H2,(H,19,20)
InChIKeyPLOPMRKSWYEVAL-UHFFFAOYSA-N
XLogP4.98
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine with MolForge

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Related Compounds

4-(4-chlorophenyl)-N-(4-methoxyphenyl)thiazol-2-amine
CID 768022
4-(1,3-benzodioxol-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine
CID 2531056
4-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
CID 4149421
4-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 58911052
N-(1,3-benzodioxol-5-yl)-4-phenyl-1,3-thiazol-2-amine
CID 684847
4-(4-chlorophenyl)-N-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 722563
N-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 873133
N-(3-chloro-2-methylphenyl)-4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 1339669
4-(4-chlorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine Hydrobromide
CID 2058278
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 4965920
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenyl-1,3-thiazol-2-amine;hydrobromide
CID 9551891
N-(3-methoxy-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-4-(4-phenoxyphenyl)thiazol-2-amine
CID 44440593

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine (CID 51109711) is 4-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine is Clc1ccc(-c2csc(Nc3ccc4c(c3)OCCO4)n2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine?
The InChIKey is PLOPMRKSWYEVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2S/c18-12-3-1-11(2-4-12)14-10-23-17(20-14)19-13-5-6-15-16(9-13)22-8-7-21-15/h1-6,9-10H,7-8H2,(H,19,20).
What are the key properties of 4-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine?
4-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine has a molecular weight of 344.82 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 51109711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).