N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methoxy-1,3-benzothiazol-2-amine

C19H17N3O3S2 — CID 7513120

IUPACN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1ccc(-c2csc(Nc3nc4cc(OC)ccc4s3)n2)c(OC)c1
InChIInChI=1S/C19H17N3O3S2/c1-23-11-5-7-17-14(8-11)20-19(27-17)22-18-21-15(10-26-18)13-6-4-12(24-2)9-16(13)25-3/h4-10H,1-3H3,(H,20,21,22)
InChIKeyWFVFGLXOVHNZPG-UHFFFAOYSA-N
MW399.50 g/mol
LogP5.19
Rot. Bonds6

About N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methoxy-1,3-benzothiazol-2-amine

N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methoxy-1,3-benzothiazol-2-amine (PubChem CID 7513120) has the molecular formula C19H17N3O3S2 and a molecular weight of 399.50 g/mol. Its IUPAC name is N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methoxy-1,3-benzothiazol-2-amine
PubChem CID7513120
Molecular FormulaC19H17N3O3S2
Molecular Weight399.50 g/mol
Exact Mass399.07
IUPAC NameN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1ccc(-c2csc(Nc3nc4cc(OC)ccc4s3)n2)c(OC)c1
InChIInChI=1S/C19H17N3O3S2/c1-23-11-5-7-17-14(8-11)20-19(27-17)22-18-21-15(10-26-18)13-6-4-12(24-2)9-16(13)25-3/h4-10H,1-3H3,(H,20,21,22)
InChIKeyWFVFGLXOVHNZPG-UHFFFAOYSA-N
XLogP5.19
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.50
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
CID 7513043
5-methoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
CID 43968995
5-methoxy-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine
CID 7513064
5-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
CID 7513050
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methylsulfanyl-1,3-benzothiazol-2-amine
CID 8544687
4-(2,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)-1,3-thiazol-2-amine
CID 7954962
4-(2,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 25342683
4-(2,4-dimethoxyphenyl)-N-(2,4,5-trichlorophenyl)-1,3-thiazol-2-amine
CID 58910662
N-[3,5-bis(trifluoromethyl)phenyl]-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 58911134
4-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 8962184
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-5,6-dimethoxy-1,3-benzothiazol-2-amine
CID 43968916
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methylbut-2-enamide
CID 30659809

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methoxy-1,3-benzothiazol-2-amine?
The IUPAC name of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methoxy-1,3-benzothiazol-2-amine (CID 7513120) is N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methoxy-1,3-benzothiazol-2-amine is COc1ccc(-c2csc(Nc3nc4cc(OC)ccc4s3)n2)c(OC)c1.
What is the InChIKey of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methoxy-1,3-benzothiazol-2-amine?
The InChIKey is WFVFGLXOVHNZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S2/c1-23-11-5-7-17-14(8-11)20-19(27-17)22-18-21-15(10-26-18)13-6-4-12(24-2)9-16(13)25-3/h4-10H,1-3H3,(H,20,21,22).
What are the key properties of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methoxy-1,3-benzothiazol-2-amine?
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methoxy-1,3-benzothiazol-2-amine has a molecular weight of 399.50 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 7513120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).