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

C16H11ClN2O2S — CID 873133

IUPACN-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)-1,3-thiazol-2-amine
SMILESClc1ccc(-c2csc(Nc3ccc4c(c3)OCO4)n2)cc1
InChIInChI=1S/C16H11ClN2O2S/c17-11-3-1-10(2-4-11)13-8-22-16(19-13)18-12-5-6-14-15(7-12)21-9-20-14/h1-8H,9H2,(H,18,19)
InChIKeyHOTWNGAQTMQYHJ-UHFFFAOYSA-N
MW330.80 g/mol
LogP4.94
Rot. Bonds3

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

N-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)-1,3-thiazol-2-amine (PubChem CID 873133) has the molecular formula C16H11ClN2O2S and a molecular weight of 330.80 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)-1,3-thiazol-2-amine
PubChem CID873133
Molecular FormulaC16H11ClN2O2S
Molecular Weight330.80 g/mol
Exact Mass330.02
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)-1,3-thiazol-2-amine
SMILESClc1ccc(-c2csc(Nc3ccc4c(c3)OCO4)n2)cc1
InChIInChI=1S/C16H11ClN2O2S/c17-11-3-1-10(2-4-11)13-8-22-16(19-13)18-12-5-6-14-15(7-12)21-9-20-14/h1-8H,9H2,(H,18,19)
InChIKeyHOTWNGAQTMQYHJ-UHFFFAOYSA-N
XLogP4.94
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.80
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-[2-(Benzo[1,3]dioxol-5-ylamino)-thiazol-4-yl]-5-methylsulfanyl-thiophene-2-carboxamidine
CID 44383520
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-(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
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenyl-1,3-thiazol-2-amine;hydrobromide
CID 9551891
4-[2-(1,3-Benzodioxol-5-ylamino)-4-thiazolyl]benzene-1,3-diol
CID 42626479
4-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine
CID 51109711

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)-1,3-thiazol-2-amine (CID 873133) is N-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)-1,3-thiazol-2-amine is Clc1ccc(-c2csc(Nc3ccc4c(c3)OCO4)n2)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)-1,3-thiazol-2-amine?
The InChIKey is HOTWNGAQTMQYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O2S/c17-11-3-1-10(2-4-11)13-8-22-16(19-13)18-12-5-6-14-15(7-12)21-9-20-14/h1-8H,9H2,(H,18,19).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)-1,3-thiazol-2-amine?
N-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)-1,3-thiazol-2-amine has a molecular weight of 330.80 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 873133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).