6-methyl-N-[2-[4-[(3-methyl-1,3-thiazolidin-2-ylidene)amino]phenyl]ethyl]-1,3-benzothiazol-2-amine

C20H22N4S2 — CID 58627829

IUPAC6-methyl-N-[2-[4-[(3-methyl-1,3-thiazolidin-2-ylidene)amino]phenyl]ethyl]-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(NCCc3ccc(/N=C4/SCCN4C)cc3)sc2c1
InChIInChI=1S/C20H22N4S2/c1-14-3-8-17-18(13-14)26-19(23-17)21-10-9-15-4-6-16(7-5-15)22-20-24(2)11-12-25-20/h3-8,13H,9-12H2,1-2H3,(H,21,23)/b22-20+
InChIKeyJFBOERVKFBBNPO-LSDHQDQOSA-N
MW382.56 g/mol
LogP4.93
Rot. Bonds5

About 6-methyl-N-[2-[4-[(3-methyl-1,3-thiazolidin-2-ylidene)amino]phenyl]ethyl]-1,3-benzothiazol-2-amine

6-methyl-N-[2-[4-[(3-methyl-1,3-thiazolidin-2-ylidene)amino]phenyl]ethyl]-1,3-benzothiazol-2-amine (PubChem CID 58627829) has the molecular formula C20H22N4S2 and a molecular weight of 382.56 g/mol. Its IUPAC name is 6-methyl-N-[2-[4-[(3-methyl-1,3-thiazolidin-2-ylidene)amino]phenyl]ethyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-methyl-N-[2-[4-[(3-methyl-1,3-thiazolidin-2-ylidene)amino]phenyl]ethyl]-1,3-benzothiazol-2-amine
PubChem CID58627829
Molecular FormulaC20H22N4S2
Molecular Weight382.56 g/mol
Exact Mass382.13
IUPAC Name6-methyl-N-[2-[4-[(3-methyl-1,3-thiazolidin-2-ylidene)amino]phenyl]ethyl]-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(NCCc3ccc(/N=C4/SCCN4C)cc3)sc2c1
InChIInChI=1S/C20H22N4S2/c1-14-3-8-17-18(13-14)26-19(23-17)21-10-9-15-4-6-16(7-5-15)22-20-24(2)11-12-25-20/h3-8,13H,9-12H2,1-2H3,(H,21,23)/b22-20+
InChIKeyJFBOERVKFBBNPO-LSDHQDQOSA-N
XLogP4.93
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.56
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazol-2-amine
CID 79142258
N-[2-[4-(5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazol-3-ylideneamino)phenyl]ethyl]-6-fluoro-1,3-benzothiazol-2-amine
CID 76842836
6-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1,3-benzothiazol-2-amine
CID 79142595
6-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-benzothiazol-2-amine
CID 114516288
N-[2-[4-[[(7aS)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazol-3-ylidene]amino]phenyl]ethyl]-5,6-dichloro-1,3-benzothiazol-2-amine
CID 58627870
6-methyl-N-(3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine
CID 79142262
6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-benzothiazol-2-amine
CID 79142765
6-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine
CID 106419883
N-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-amine
CID 78908863
6-methyl-N-pentyl-1,3-benzothiazol-2-amine
CID 79142327
6-ethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-1,3-benzothiazol-2-amine
CID 108771426
6-methoxy-N-[2-[4-[[(4S)-4-methyl-2-thiaspiro[4.4]nonan-3-ylidene]amino]phenyl]ethyl]-1,3-benzothiazol-2-amine
CID 143137242

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-[4-[(3-methyl-1,3-thiazolidin-2-ylidene)amino]phenyl]ethyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-methyl-N-[2-[4-[(3-methyl-1,3-thiazolidin-2-ylidene)amino]phenyl]ethyl]-1,3-benzothiazol-2-amine (CID 58627829) is 6-methyl-N-[2-[4-[(3-methyl-1,3-thiazolidin-2-ylidene)amino]phenyl]ethyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-methyl-N-[2-[4-[(3-methyl-1,3-thiazolidin-2-ylidene)amino]phenyl]ethyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-methyl-N-[2-[4-[(3-methyl-1,3-thiazolidin-2-ylidene)amino]phenyl]ethyl]-1,3-benzothiazol-2-amine is Cc1ccc2nc(NCCc3ccc(/N=C4/SCCN4C)cc3)sc2c1.
What is the InChIKey of 6-methyl-N-[2-[4-[(3-methyl-1,3-thiazolidin-2-ylidene)amino]phenyl]ethyl]-1,3-benzothiazol-2-amine?
The InChIKey is JFBOERVKFBBNPO-LSDHQDQOSA-N. The full InChI is InChI=1S/C20H22N4S2/c1-14-3-8-17-18(13-14)26-19(23-17)21-10-9-15-4-6-16(7-5-15)22-20-24(2)11-12-25-20/h3-8,13H,9-12H2,1-2H3,(H,21,23)/b22-20+.
What are the key properties of 6-methyl-N-[2-[4-[(3-methyl-1,3-thiazolidin-2-ylidene)amino]phenyl]ethyl]-1,3-benzothiazol-2-amine?
6-methyl-N-[2-[4-[(3-methyl-1,3-thiazolidin-2-ylidene)amino]phenyl]ethyl]-1,3-benzothiazol-2-amine has a molecular weight of 382.56 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-[4-[(3-methyl-1,3-thiazolidin-2-ylidene)amino]phenyl]ethyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 58627829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).