5-chloro-4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine;hydrochloride

C16H21Cl2N3O3S2 — CID 45099975

IUPAC5-chloro-4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine;hydrochloride
SMILESCc1ccc(S(=O)(=O)c2nc(NCCN3CCOCC3)sc2Cl)cc1.Cl
InChIInChI=1S/C16H20ClN3O3S2.ClH/c1-12-2-4-13(5-3-12)25(21,22)15-14(17)24-16(19-15)18-6-7-20-8-10-23-11-9-20;/h2-5H,6-11H2,1H3,(H,18,19);1H
InChIKeyJDUHPXAKLXITBF-UHFFFAOYSA-N
MW438.40 g/mol
LogP3.10
Rot. Bonds6

About 5-chloro-4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine;hydrochloride

5-chloro-4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine;hydrochloride (PubChem CID 45099975) has the molecular formula C16H21Cl2N3O3S2 and a molecular weight of 438.40 g/mol. Its IUPAC name is 5-chloro-4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-chloro-4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine;hydrochloride
PubChem CID45099975
Molecular FormulaC16H21Cl2N3O3S2
Molecular Weight438.40 g/mol
Exact Mass437.04
IUPAC Name5-chloro-4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine;hydrochloride
SMILESCc1ccc(S(=O)(=O)c2nc(NCCN3CCOCC3)sc2Cl)cc1.Cl
InChIInChI=1S/C16H20ClN3O3S2.ClH/c1-12-2-4-13(5-3-12)25(21,22)15-14(17)24-16(19-15)18-6-7-20-8-10-23-11-9-20;/h2-5H,6-11H2,1H3,(H,18,19);1H
InChIKeyJDUHPXAKLXITBF-UHFFFAOYSA-N
XLogP3.10
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-chloro-4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine;hydrochloride (CID 45099975) is 5-chloro-4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-chloro-4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-chloro-4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine;hydrochloride is Cc1ccc(S(=O)(=O)c2nc(NCCN3CCOCC3)sc2Cl)cc1.Cl.
What is the InChIKey of 5-chloro-4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is JDUHPXAKLXITBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O3S2.ClH/c1-12-2-4-13(5-3-12)25(21,22)15-14(17)24-16(19-15)18-6-7-20-8-10-23-11-9-20;/h2-5H,6-11H2,1H3,(H,18,19);1H.
What are the key properties of 5-chloro-4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine;hydrochloride?
5-chloro-4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 438.40 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 45099975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).