N-(2,4-dimethoxyphenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine

C16H17N3O2S2 — CID 972358

IUPACN-(2,4-dimethoxyphenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(-c3sc(C)nc3C)cs2)c(OC)c1
InChIInChI=1S/C16H17N3O2S2/c1-9-15(23-10(2)17-9)13-8-22-16(19-13)18-12-6-5-11(20-3)7-14(12)21-4/h5-8H,1-4H3,(H,18,19)
InChIKeyCVEPKCCPWIVETG-UHFFFAOYSA-N
MW347.47 g/mol
LogP4.64
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine

N-(2,4-dimethoxyphenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine (PubChem CID 972358) has the molecular formula C16H17N3O2S2 and a molecular weight of 347.47 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
PubChem CID972358
Molecular FormulaC16H17N3O2S2
Molecular Weight347.47 g/mol
Exact Mass347.08
IUPAC NameN-(2,4-dimethoxyphenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(-c3sc(C)nc3C)cs2)c(OC)c1
InChIInChI=1S/C16H17N3O2S2/c1-9-15(23-10(2)17-9)13-8-22-16(19-13)18-12-6-5-11(20-3)7-14(12)21-4/h5-8H,1-4H3,(H,18,19)
InChIKeyCVEPKCCPWIVETG-UHFFFAOYSA-N
XLogP4.64
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(2,4-dimethoxyphenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine (CID 972358) is N-(2,4-dimethoxyphenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine is COc1ccc(Nc2nc(-c3sc(C)nc3C)cs2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
The InChIKey is CVEPKCCPWIVETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S2/c1-9-15(23-10(2)17-9)13-8-22-16(19-13)18-12-6-5-11(20-3)7-14(12)21-4/h5-8H,1-4H3,(H,18,19).
What are the key properties of N-(2,4-dimethoxyphenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
N-(2,4-dimethoxyphenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine has a molecular weight of 347.47 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 972358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).