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

C14H18ClN3O2S2 — CID 1301648

IUPACN-[5-chloro-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCc1ccc(S(=O)(=O)c2nc(NCCN(C)C)sc2Cl)cc1
InChIInChI=1S/C14H18ClN3O2S2/c1-10-4-6-11(7-5-10)22(19,20)13-12(15)21-14(17-13)16-8-9-18(2)3/h4-7H,8-9H2,1-3H3,(H,16,17)
InChIKeyFEDFHWHLGXWKBQ-UHFFFAOYSA-N
MW359.90 g/mol
LogP2.91
Rot. Bonds6

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

N-[5-chloro-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 1301648) has the molecular formula C14H18ClN3O2S2 and a molecular weight of 359.90 g/mol. Its IUPAC name is N-[5-chloro-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[5-chloro-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID1301648
Molecular FormulaC14H18ClN3O2S2
Molecular Weight359.90 g/mol
Exact Mass359.05
IUPAC NameN-[5-chloro-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCc1ccc(S(=O)(=O)c2nc(NCCN(C)C)sc2Cl)cc1
InChIInChI=1S/C14H18ClN3O2S2/c1-10-4-6-11(7-5-10)22(19,20)13-12(15)21-14(17-13)16-8-9-18(2)3/h4-7H,8-9H2,1-3H3,(H,16,17)
InChIKeyFEDFHWHLGXWKBQ-UHFFFAOYSA-N
XLogP2.91
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.90
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[5-chloro-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-yl]-N',N'-dimethylethane-1,2-diamine (CID 1301648) is N-[5-chloro-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[5-chloro-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[5-chloro-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-yl]-N',N'-dimethylethane-1,2-diamine is Cc1ccc(S(=O)(=O)c2nc(NCCN(C)C)sc2Cl)cc1.
What is the InChIKey of N-[5-chloro-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is FEDFHWHLGXWKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2S2/c1-10-4-6-11(7-5-10)22(19,20)13-12(15)21-14(17-13)16-8-9-18(2)3/h4-7H,8-9H2,1-3H3,(H,16,17).
What are the key properties of N-[5-chloro-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-yl]-N',N'-dimethylethane-1,2-diamine?
N-[5-chloro-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 359.90 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 1301648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).