(Z)-N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-3-methyl-1,3-benzothiazol-2-imine

C14H10ClN5S2 — CID 8900414

IUPAC(Z)-N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-3-methyl-1,3-benzothiazol-2-imine
SMILESCn1/c(=N\N=C/c2c(Cl)nc3sccn23)sc2ccccc21
InChIInChI=1S/C14H10ClN5S2/c1-19-9-4-2-3-5-11(9)22-14(19)18-16-8-10-12(15)17-13-20(10)6-7-21-13/h2-8H,1H3/b16-8-,18-14+
InChIKeyZXFVKNMNGASENP-JHADWBBOSA-N
MW347.86 g/mol
LogP3.54
Rot. Bonds2

About (Z)-N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-3-methyl-1,3-benzothiazol-2-imine

(Z)-N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-3-methyl-1,3-benzothiazol-2-imine (PubChem CID 8900414) has the molecular formula C14H10ClN5S2 and a molecular weight of 347.86 g/mol. Its IUPAC name is (Z)-N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-3-methyl-1,3-benzothiazol-2-imine.

Molecular Properties

Compound Name(Z)-N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-3-methyl-1,3-benzothiazol-2-imine
PubChem CID8900414
Molecular FormulaC14H10ClN5S2
Molecular Weight347.86 g/mol
Exact Mass347.01
IUPAC Name(Z)-N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-3-methyl-1,3-benzothiazol-2-imine
SMILESCn1/c(=N\N=C/c2c(Cl)nc3sccn23)sc2ccccc21
InChIInChI=1S/C14H10ClN5S2/c1-19-9-4-2-3-5-11(9)22-14(19)18-16-8-10-12(15)17-13-20(10)6-7-21-13/h2-8H,1H3/b16-8-,18-14+
InChIKeyZXFVKNMNGASENP-JHADWBBOSA-N
XLogP3.54
TPSA46.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.86
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-methyl-N-[(Z)-pyridin-2-ylmethylideneamino]-1,3-benzothiazol-2-imine
CID 6904562
(E)-3-methyl-N-[(E)-(4-methylphenyl)methylideneamino]-1,3-benzothiazol-2-imine
CID 6898197
2-[(E)-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]benzoic acid
CID 6903912
2-chloro-N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]aniline
CID 9069826
2,6-ditert-butyl-4-[(Z)-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]phenol
CID 136758778
N-(4-benzhydrylpiperazin-1-yl)-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methanimine
CID 2446974
2,6-dibromo-4-[(E)-[(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]phenol
CID 135615987
4-bromo-2-[(E)-[(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]phenol
CID 135601226
(E)-3-methyl-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]-1,3-benzothiazol-2-imine
CID 6902132
2-methoxy-6-[[(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]phenol
CID 2370611
2-methoxy-6-[(E)-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]phenol
CID 135852448
(E)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-3-methyl-1,3-benzothiazol-2-imine
CID 6898370

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-3-methyl-1,3-benzothiazol-2-imine?
The IUPAC name of (Z)-N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-3-methyl-1,3-benzothiazol-2-imine (CID 8900414) is (Z)-N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-3-methyl-1,3-benzothiazol-2-imine.
What is the SMILES notation for (Z)-N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-3-methyl-1,3-benzothiazol-2-imine?
The canonical SMILES for (Z)-N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-3-methyl-1,3-benzothiazol-2-imine is Cn1/c(=N\N=C/c2c(Cl)nc3sccn23)sc2ccccc21.
What is the InChIKey of (Z)-N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-3-methyl-1,3-benzothiazol-2-imine?
The InChIKey is ZXFVKNMNGASENP-JHADWBBOSA-N. The full InChI is InChI=1S/C14H10ClN5S2/c1-19-9-4-2-3-5-11(9)22-14(19)18-16-8-10-12(15)17-13-20(10)6-7-21-13/h2-8H,1H3/b16-8-,18-14+.
What are the key properties of (Z)-N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-3-methyl-1,3-benzothiazol-2-imine?
(Z)-N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-3-methyl-1,3-benzothiazol-2-imine has a molecular weight of 347.86 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-3-methyl-1,3-benzothiazol-2-imine is sourced from PubChem (CID 8900414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).