4-(benzenesulfonyl)-5-chloro-N,N-dimethyl-1,3-thiazol-2-amine

C11H11ClN2O2S2 — CID 3948010

IUPAC4-(benzenesulfonyl)-5-chloro-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCN(C)c1nc(S(=O)(=O)c2ccccc2)c(Cl)s1
InChIInChI=1S/C11H11ClN2O2S2/c1-14(2)11-13-10(9(12)17-11)18(15,16)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyOYJWMTZNOSRBJW-UHFFFAOYSA-N
MW302.81 g/mol
LogP2.70
Rot. Bonds3

About 4-(benzenesulfonyl)-5-chloro-N,N-dimethyl-1,3-thiazol-2-amine

4-(benzenesulfonyl)-5-chloro-N,N-dimethyl-1,3-thiazol-2-amine (PubChem CID 3948010) has the molecular formula C11H11ClN2O2S2 and a molecular weight of 302.81 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-5-chloro-N,N-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-5-chloro-N,N-dimethyl-1,3-thiazol-2-amine
PubChem CID3948010
Molecular FormulaC11H11ClN2O2S2
Molecular Weight302.81 g/mol
Exact Mass302.00
IUPAC Name4-(benzenesulfonyl)-5-chloro-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCN(C)c1nc(S(=O)(=O)c2ccccc2)c(Cl)s1
InChIInChI=1S/C11H11ClN2O2S2/c1-14(2)11-13-10(9(12)17-11)18(15,16)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyOYJWMTZNOSRBJW-UHFFFAOYSA-N
XLogP2.70
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 18775386
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CID 2107753
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CID 72010883
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CID 85844632
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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-5-chloro-N,N-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(benzenesulfonyl)-5-chloro-N,N-dimethyl-1,3-thiazol-2-amine (CID 3948010) is 4-(benzenesulfonyl)-5-chloro-N,N-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(benzenesulfonyl)-5-chloro-N,N-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(benzenesulfonyl)-5-chloro-N,N-dimethyl-1,3-thiazol-2-amine is CN(C)c1nc(S(=O)(=O)c2ccccc2)c(Cl)s1.
What is the InChIKey of 4-(benzenesulfonyl)-5-chloro-N,N-dimethyl-1,3-thiazol-2-amine?
The InChIKey is OYJWMTZNOSRBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2S2/c1-14(2)11-13-10(9(12)17-11)18(15,16)8-6-4-3-5-7-8/h3-7H,1-2H3.
What are the key properties of 4-(benzenesulfonyl)-5-chloro-N,N-dimethyl-1,3-thiazol-2-amine?
4-(benzenesulfonyl)-5-chloro-N,N-dimethyl-1,3-thiazol-2-amine has a molecular weight of 302.81 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-5-chloro-N,N-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 3948010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).