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

C13H11N3OS2 — CID 163214674

IUPACN-(3-methoxyphenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
SMILESCOc1cccc(Nc2nc(-c3nccs3)cs2)c1
InChIInChI=1S/C13H11N3OS2/c1-17-10-4-2-3-9(7-10)15-13-16-11(8-19-13)12-14-5-6-18-12/h2-8H,1H3,(H,15,16)
InChIKeyJKWZQCUWPCQGJF-UHFFFAOYSA-N
MW289.39 g/mol
LogP4.02
Rot. Bonds4

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

N-(3-methoxyphenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine (PubChem CID 163214674) has the molecular formula C13H11N3OS2 and a molecular weight of 289.39 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
PubChem CID163214674
Molecular FormulaC13H11N3OS2
Molecular Weight289.39 g/mol
Exact Mass289.03
IUPAC NameN-(3-methoxyphenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
SMILESCOc1cccc(Nc2nc(-c3nccs3)cs2)c1
InChIInChI=1S/C13H11N3OS2/c1-17-10-4-2-3-9(7-10)15-13-16-11(8-19-13)12-14-5-6-18-12/h2-8H,1H3,(H,15,16)
InChIKeyJKWZQCUWPCQGJF-UHFFFAOYSA-N
XLogP4.02
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chlorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
CID 163214642
N-(3-methoxyphenyl)-4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-amine
CID 167993102
4-(2,4-dimethyl-1,3-oxazol-5-yl)-N-(3-methoxyphenyl)-1,3-thiazol-2-amine
CID 167752190
3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol
CID 768029
N-(3-methoxyphenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine
CID 58910966
N-(3,5-dimethoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
CID 25169255
4-methoxy-N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 5178891
N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3265729
N-[[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 9343570
N-(2,4-difluorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
CID 163214646
N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-2-phenylacetamide
CID 5037390
N-[3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565354

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(3-methoxyphenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine (CID 163214674) is N-(3-methoxyphenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-methoxyphenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine is COc1cccc(Nc2nc(-c3nccs3)cs2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
The InChIKey is JKWZQCUWPCQGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS2/c1-17-10-4-2-3-9(7-10)15-13-16-11(8-19-13)12-14-5-6-18-12/h2-8H,1H3,(H,15,16).
What are the key properties of N-(3-methoxyphenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
N-(3-methoxyphenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine has a molecular weight of 289.39 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 163214674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).