N-(1,3-benzodioxol-5-yl)-4-(3-methoxyphenyl)-1,3-thiazol-2-amine

C17H14N2O3S — CID 70687793

IUPACN-(1,3-benzodioxol-5-yl)-4-(3-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1cccc(-c2csc(Nc3ccc4c(c3)OCO4)n2)c1
InChIInChI=1S/C17H14N2O3S/c1-20-13-4-2-3-11(7-13)14-9-23-17(19-14)18-12-5-6-15-16(8-12)22-10-21-15/h2-9H,10H2,1H3,(H,18,19)
InChIKeyDCDFZCCMGRLMFA-UHFFFAOYSA-N
MW326.38 g/mol
LogP4.29
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-4-(3-methoxyphenyl)-1,3-thiazol-2-amine

N-(1,3-benzodioxol-5-yl)-4-(3-methoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 70687793) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-(3-methoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-(3-methoxyphenyl)-1,3-thiazol-2-amine
PubChem CID70687793
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-(3-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1cccc(-c2csc(Nc3ccc4c(c3)OCO4)n2)c1
InChIInChI=1S/C17H14N2O3S/c1-20-13-4-2-3-11(7-13)14-9-23-17(19-14)18-12-5-6-15-16(8-12)22-10-21-15/h2-9H,10H2,1H3,(H,18,19)
InChIKeyDCDFZCCMGRLMFA-UHFFFAOYSA-N
XLogP4.29
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-Benzo(1,3)dioxol-5-yl-thiazol-2-ylamine
CID 727580
4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
CID 698943
N-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-amine
CID 1548457
3-(1,3-benzodioxol-5-yl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acrylamide
CID 2166356
4-(1,3-benzodioxol-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine
CID 2531056
4-(4-(2-Methoxyphenyl)thiazol-2-ylamino)phenol
CID 25100440
4-[2-(Benzo[1,3]dioxol-5-ylamino)-thiazol-4-yl]-5-methylsulfanyl-thiophene-2-carboxamidine
CID 44383520
4-(3,4-dimethoxyphenyl)-N-naphthalen-2-yl-1,3-thiazol-2-amine
CID 51002786
4-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 58911052
4-(1,3-benzodioxol-5-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
CID 142727014
1-(4-(3-Methoxyphenyl)thiazol-2-yl)-3-phenylurea
CID 929876
4-(4-fluorophenyl)-N-(3-methoxyphenyl)-1,3-thiazol-2-amine
CID 2056391

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(3-methoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(3-methoxyphenyl)-1,3-thiazol-2-amine (CID 70687793) is N-(1,3-benzodioxol-5-yl)-4-(3-methoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-(3-methoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-(3-methoxyphenyl)-1,3-thiazol-2-amine is COc1cccc(-c2csc(Nc3ccc4c(c3)OCO4)n2)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-(3-methoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is DCDFZCCMGRLMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S/c1-20-13-4-2-3-11(7-13)14-9-23-17(19-14)18-12-5-6-15-16(8-12)22-10-21-15/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-(3-methoxyphenyl)-1,3-thiazol-2-amine?
N-(1,3-benzodioxol-5-yl)-4-(3-methoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 326.38 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-(3-methoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 70687793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).