4-(4-chlorophenyl)-5-methyl-2-[(sulfamoylamino)methyl]-1,3-thiazole

C11H12ClN3O2S2 — CID 71937534

IUPAC4-(4-chlorophenyl)-5-methyl-2-[(sulfamoylamino)methyl]-1,3-thiazole
SMILESCc1sc(CNS(N)(=O)=O)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClN3O2S2/c1-7-11(8-2-4-9(12)5-3-8)15-10(18-7)6-14-19(13,16)17/h2-5,14H,6H2,1H3,(H2,13,16,17)
InChIKeyWRVCERADBFZLRI-UHFFFAOYSA-N
MW317.82 g/mol
LogP2.07
Rot. Bonds4

About 4-(4-chlorophenyl)-5-methyl-2-[(sulfamoylamino)methyl]-1,3-thiazole

4-(4-chlorophenyl)-5-methyl-2-[(sulfamoylamino)methyl]-1,3-thiazole (PubChem CID 71937534) has the molecular formula C11H12ClN3O2S2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-methyl-2-[(sulfamoylamino)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-methyl-2-[(sulfamoylamino)methyl]-1,3-thiazole
PubChem CID71937534
Molecular FormulaC11H12ClN3O2S2
Molecular Weight317.82 g/mol
Exact Mass317.01
IUPAC Name4-(4-chlorophenyl)-5-methyl-2-[(sulfamoylamino)methyl]-1,3-thiazole
SMILESCc1sc(CNS(N)(=O)=O)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClN3O2S2/c1-7-11(8-2-4-9(12)5-3-8)15-10(18-7)6-14-19(13,16)17/h2-5,14H,6H2,1H3,(H2,13,16,17)
InChIKeyWRVCERADBFZLRI-UHFFFAOYSA-N
XLogP2.07
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-methyl-2-[(sulfamoylamino)methyl]-1,3-thiazole?
The IUPAC name of 4-(4-chlorophenyl)-5-methyl-2-[(sulfamoylamino)methyl]-1,3-thiazole (CID 71937534) is 4-(4-chlorophenyl)-5-methyl-2-[(sulfamoylamino)methyl]-1,3-thiazole.
What is the SMILES notation for 4-(4-chlorophenyl)-5-methyl-2-[(sulfamoylamino)methyl]-1,3-thiazole?
The canonical SMILES for 4-(4-chlorophenyl)-5-methyl-2-[(sulfamoylamino)methyl]-1,3-thiazole is Cc1sc(CNS(N)(=O)=O)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-5-methyl-2-[(sulfamoylamino)methyl]-1,3-thiazole?
The InChIKey is WRVCERADBFZLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2S2/c1-7-11(8-2-4-9(12)5-3-8)15-10(18-7)6-14-19(13,16)17/h2-5,14H,6H2,1H3,(H2,13,16,17).
What are the key properties of 4-(4-chlorophenyl)-5-methyl-2-[(sulfamoylamino)methyl]-1,3-thiazole?
4-(4-chlorophenyl)-5-methyl-2-[(sulfamoylamino)methyl]-1,3-thiazole has a molecular weight of 317.82 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-methyl-2-[(sulfamoylamino)methyl]-1,3-thiazole is sourced from PubChem (CID 71937534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).