N-[4-(benzenesulfonyl)-5-chloro-1,3-thiazol-2-yl]-N',N'-dimethylethane-1,2-diamine

C13H16ClN3O2S2 — CID 2112344

IUPACN-[4-(benzenesulfonyl)-5-chloro-1,3-thiazol-2-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1nc(S(=O)(=O)c2ccccc2)c(Cl)s1
InChIInChI=1S/C13H16ClN3O2S2/c1-17(2)9-8-15-13-16-12(11(14)20-13)21(18,19)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,15,16)
InChIKeyPPTXHJHOWCEROL-UHFFFAOYSA-N
MW345.88 g/mol
LogP2.60
Rot. Bonds6

About N-[4-(benzenesulfonyl)-5-chloro-1,3-thiazol-2-yl]-N',N'-dimethylethane-1,2-diamine

N-[4-(benzenesulfonyl)-5-chloro-1,3-thiazol-2-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 2112344) has the molecular formula C13H16ClN3O2S2 and a molecular weight of 345.88 g/mol. Its IUPAC name is N-[4-(benzenesulfonyl)-5-chloro-1,3-thiazol-2-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[4-(benzenesulfonyl)-5-chloro-1,3-thiazol-2-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID2112344
Molecular FormulaC13H16ClN3O2S2
Molecular Weight345.88 g/mol
Exact Mass345.04
IUPAC NameN-[4-(benzenesulfonyl)-5-chloro-1,3-thiazol-2-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1nc(S(=O)(=O)c2ccccc2)c(Cl)s1
InChIInChI=1S/C13H16ClN3O2S2/c1-17(2)9-8-15-13-16-12(11(14)20-13)21(18,19)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,15,16)
InChIKeyPPTXHJHOWCEROL-UHFFFAOYSA-N
XLogP2.60
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.88
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(benzenesulfonyl)-5-chloro-1,3-thiazol-2-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[4-(benzenesulfonyl)-5-chloro-1,3-thiazol-2-yl]-N',N'-dimethylethane-1,2-diamine (CID 2112344) is N-[4-(benzenesulfonyl)-5-chloro-1,3-thiazol-2-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[4-(benzenesulfonyl)-5-chloro-1,3-thiazol-2-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[4-(benzenesulfonyl)-5-chloro-1,3-thiazol-2-yl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1nc(S(=O)(=O)c2ccccc2)c(Cl)s1.
What is the InChIKey of N-[4-(benzenesulfonyl)-5-chloro-1,3-thiazol-2-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is PPTXHJHOWCEROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2S2/c1-17(2)9-8-15-13-16-12(11(14)20-13)21(18,19)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,15,16).
What are the key properties of N-[4-(benzenesulfonyl)-5-chloro-1,3-thiazol-2-yl]-N',N'-dimethylethane-1,2-diamine?
N-[4-(benzenesulfonyl)-5-chloro-1,3-thiazol-2-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 345.88 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzenesulfonyl)-5-chloro-1,3-thiazol-2-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 2112344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).