5-N-[(5-chlorothiophen-2-yl)methyl]-4-ethylsulfonyl-5-N-methyl-1,2-thiazole-3,5-diamine

C11H14ClN3O2S3 — CID 103360768

IUPAC5-N-[(5-chlorothiophen-2-yl)methyl]-4-ethylsulfonyl-5-N-methyl-1,2-thiazole-3,5-diamine
SMILESCCS(=O)(=O)c1c(N)nsc1N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C11H14ClN3O2S3/c1-3-20(16,17)9-10(13)14-19-11(9)15(2)6-7-4-5-8(12)18-7/h4-5H,3,6H2,1-2H3,(H2,13,14)
InChIKeyQWCSFHGAXRMCMF-UHFFFAOYSA-N
MW351.91 g/mol
LogP2.87
Rot. Bonds5

About 5-N-[(5-chlorothiophen-2-yl)methyl]-4-ethylsulfonyl-5-N-methyl-1,2-thiazole-3,5-diamine

5-N-[(5-chlorothiophen-2-yl)methyl]-4-ethylsulfonyl-5-N-methyl-1,2-thiazole-3,5-diamine (PubChem CID 103360768) has the molecular formula C11H14ClN3O2S3 and a molecular weight of 351.91 g/mol. Its IUPAC name is 5-N-[(5-chlorothiophen-2-yl)methyl]-4-ethylsulfonyl-5-N-methyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(5-chlorothiophen-2-yl)methyl]-4-ethylsulfonyl-5-N-methyl-1,2-thiazole-3,5-diamine
PubChem CID103360768
Molecular FormulaC11H14ClN3O2S3
Molecular Weight351.91 g/mol
Exact Mass350.99
IUPAC Name5-N-[(5-chlorothiophen-2-yl)methyl]-4-ethylsulfonyl-5-N-methyl-1,2-thiazole-3,5-diamine
SMILESCCS(=O)(=O)c1c(N)nsc1N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C11H14ClN3O2S3/c1-3-20(16,17)9-10(13)14-19-11(9)15(2)6-7-4-5-8(12)18-7/h4-5H,3,6H2,1-2H3,(H2,13,14)
InChIKeyQWCSFHGAXRMCMF-UHFFFAOYSA-N
XLogP2.87
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.91
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-N-[(5-chlorothiophen-2-yl)methyl]-4-ethylsulfonyl-5-N-methyl-1,2-thiazole-3,5-diamine with MolForge

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Related Compounds

4-ethylsulfonyl-5-N-methyl-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103360412
5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methyl-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103360767
5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methyl-4-pyridin-4-yl-1,2-thiazole-3,5-diamine
CID 103360771
5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methylpyridine-3,5-diamine
CID 104533337
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridine-2-sulfonamide
CID 103305076
4-ethylsulfonyl-5-N-methyl-5-N-(3-methylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103360829
4-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzenesulfonamide
CID 54978657
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylethanesulfonamide
CID 107650976
ethyl 2-amino-3-[(5-chlorothiophen-2-yl)methyl-methylamino]benzoate
CID 115545135
1-(2-aminophenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylmethanesulfonamide
CID 62020358
5-(2-aminoethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylthiophene-2-sulfonamide
CID 61439859
4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline
CID 61438708

Frequently Asked Questions

What is the IUPAC name of 5-N-[(5-chlorothiophen-2-yl)methyl]-4-ethylsulfonyl-5-N-methyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[(5-chlorothiophen-2-yl)methyl]-4-ethylsulfonyl-5-N-methyl-1,2-thiazole-3,5-diamine (CID 103360768) is 5-N-[(5-chlorothiophen-2-yl)methyl]-4-ethylsulfonyl-5-N-methyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[(5-chlorothiophen-2-yl)methyl]-4-ethylsulfonyl-5-N-methyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[(5-chlorothiophen-2-yl)methyl]-4-ethylsulfonyl-5-N-methyl-1,2-thiazole-3,5-diamine is CCS(=O)(=O)c1c(N)nsc1N(C)Cc1ccc(Cl)s1.
What is the InChIKey of 5-N-[(5-chlorothiophen-2-yl)methyl]-4-ethylsulfonyl-5-N-methyl-1,2-thiazole-3,5-diamine?
The InChIKey is QWCSFHGAXRMCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2S3/c1-3-20(16,17)9-10(13)14-19-11(9)15(2)6-7-4-5-8(12)18-7/h4-5H,3,6H2,1-2H3,(H2,13,14).
What are the key properties of 5-N-[(5-chlorothiophen-2-yl)methyl]-4-ethylsulfonyl-5-N-methyl-1,2-thiazole-3,5-diamine?
5-N-[(5-chlorothiophen-2-yl)methyl]-4-ethylsulfonyl-5-N-methyl-1,2-thiazole-3,5-diamine has a molecular weight of 351.91 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(5-chlorothiophen-2-yl)methyl]-4-ethylsulfonyl-5-N-methyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).