N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide

C18H13N3OS2 — CID 3524164

IUPACN-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide
SMILESC=CCn1/c(=N/C(=O)c2nc3ccccc3s2)sc2ccccc21
InChIInChI=1S/C18H13N3OS2/c1-2-11-21-13-8-4-6-10-15(13)24-18(21)20-16(22)17-19-12-7-3-5-9-14(12)23-17/h2-10H,1,11H2/b20-18-
InChIKeyPLJPDCWSPPEKJU-ZZEZOPTASA-N
MW351.46 g/mol
LogP4.24
Rot. Bonds3

About N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide

N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide (PubChem CID 3524164) has the molecular formula C18H13N3OS2 and a molecular weight of 351.46 g/mol. Its IUPAC name is N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide
PubChem CID3524164
Molecular FormulaC18H13N3OS2
Molecular Weight351.46 g/mol
Exact Mass351.05
IUPAC NameN-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide
SMILESC=CCn1/c(=N/C(=O)c2nc3ccccc3s2)sc2ccccc21
InChIInChI=1S/C18H13N3OS2/c1-2-11-21-13-8-4-6-10-15(13)24-18(21)20-16(22)17-19-12-7-3-5-9-14(12)23-17/h2-10H,1,11H2/b20-18-
InChIKeyPLJPDCWSPPEKJU-ZZEZOPTASA-N
XLogP4.24
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.46
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(6-bromo-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide
CID 3381093
N-(5,6-dimethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide
CID 41016413
N-(7-prop-2-enyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-1,3-benzothiazole-2-carboxamide
CID 40508731
N-(4,6-difluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide
CID 4125840
N-(4-methoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide
CID 2151210
4-ethylsulfonyl-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 7553235
5-phenyl-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide
CID 43943258
4-propan-2-ylsulfonyl-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41148907
4-propan-2-yloxy-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3410426
N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 4151119
N-(5,6-dimethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)quinoxaline-2-carboxamide
CID 43980464
4-piperidin-1-ylsulfonyl-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4574668

Frequently Asked Questions

What is the IUPAC name of N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide (CID 3524164) is N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide is C=CCn1/c(=N/C(=O)c2nc3ccccc3s2)sc2ccccc21.
What is the InChIKey of N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide?
The InChIKey is PLJPDCWSPPEKJU-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H13N3OS2/c1-2-11-21-13-8-4-6-10-15(13)24-18(21)20-16(22)17-19-12-7-3-5-9-14(12)23-17/h2-10H,1,11H2/b20-18-.
What are the key properties of N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide?
N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide has a molecular weight of 351.46 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 3524164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).