2-amino-N-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide

C19H20N4O3S — CID 110522564

IUPAC2-amino-N-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide
SMILESCOc1ccc(/C=N\NC(=O)c2ccc3nc(N)sc3c2)cc1OC(C)C
InChIInChI=1S/C19H20N4O3S/c1-11(2)26-16-8-12(4-7-15(16)25-3)10-21-23-18(24)13-5-6-14-17(9-13)27-19(20)22-14/h4-11H,1-3H3,(H2,20,22)(H,23,24)/b21-10-
InChIKeyFFCNZXSMQXOWQE-FBHDLOMBSA-N
MW384.46 g/mol
LogP3.44
Rot. Bonds6

About 2-amino-N-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide

2-amino-N-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide (PubChem CID 110522564) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-amino-N-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide
PubChem CID110522564
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name2-amino-N-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide
SMILESCOc1ccc(/C=N\NC(=O)c2ccc3nc(N)sc3c2)cc1OC(C)C
InChIInChI=1S/C19H20N4O3S/c1-11(2)26-16-8-12(4-7-15(16)25-3)10-21-23-18(24)13-5-6-14-17(9-13)27-19(20)22-14/h4-11H,1-3H3,(H2,20,22)(H,23,24)/b21-10-
InChIKeyFFCNZXSMQXOWQE-FBHDLOMBSA-N
XLogP3.44
TPSA98.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.44
H-Bond Donors ≤ 52
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

2-amino-N-[(Z)-(3-bromo-4-propan-2-yloxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide
CID 110522518
2-amino-N-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide
CID 110522484
2-amino-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide
CID 110522604
2-amino-N-[(Z)-(4-fluorophenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide
CID 110522605
4-methoxy-N-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 40551611
2-amino-N-(3,4-dimethoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 141297595
2-amino-N-[(Z)-(3-nitro-4-propoxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide
CID 110522532
2-(2-amino-1,3-benzothiazol-6-yl)-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]acetamide
CID 110522633
2-(2-amino-1,3-benzothiazol-6-yl)-N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide
CID 110522655
2-(2-hydroxyphenyl)-N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 136781283
2-chloro-N-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110509304
N-[(E)-[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]-3-methoxy-4-propan-2-yloxybenzamide
CID 46804638

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide (CID 110522564) is 2-amino-N-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide is COc1ccc(/C=N\NC(=O)c2ccc3nc(N)sc3c2)cc1OC(C)C.
What is the InChIKey of 2-amino-N-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide?
The InChIKey is FFCNZXSMQXOWQE-FBHDLOMBSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-11(2)26-16-8-12(4-7-15(16)25-3)10-21-23-18(24)13-5-6-14-17(9-13)27-19(20)22-14/h4-11H,1-3H3,(H2,20,22)(H,23,24)/b21-10-.
What are the key properties of 2-amino-N-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide?
2-amino-N-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 110522564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).