N-(1,3-benzothiazol-2-yl)-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]acetamide

C16H13BrN4OS — CID 25140302

IUPACN-(1,3-benzothiazol-2-yl)-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]acetamide
SMILESO=C(CN/N=C/c1ccc(Br)cc1)Nc1nc2ccccc2s1
InChIInChI=1S/C16H13BrN4OS/c17-12-7-5-11(6-8-12)9-18-19-10-15(22)21-16-20-13-3-1-2-4-14(13)23-16/h1-9,19H,10H2,(H,20,21,22)/b18-9+
InChIKeyNFSBDYWGCTWYPV-GIJQJNRQSA-N
MW389.28 g/mol
LogP3.62
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]acetamide

N-(1,3-benzothiazol-2-yl)-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]acetamide (PubChem CID 25140302) has the molecular formula C16H13BrN4OS and a molecular weight of 389.28 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]acetamide
PubChem CID25140302
Molecular FormulaC16H13BrN4OS
Molecular Weight389.28 g/mol
Exact Mass388.00
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]acetamide
SMILESO=C(CN/N=C/c1ccc(Br)cc1)Nc1nc2ccccc2s1
InChIInChI=1S/C16H13BrN4OS/c17-12-7-5-11(6-8-12)9-18-19-10-15(22)21-16-20-13-3-1-2-4-14(13)23-16/h1-9,19H,10H2,(H,20,21,22)/b18-9+
InChIKeyNFSBDYWGCTWYPV-GIJQJNRQSA-N
XLogP3.62
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.28
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 24865533
2-(1,3-benzothiazol-2-ylamino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135771298
N-(1,3-benzothiazol-2-yl)-2-nitrosoacetamide
CID 91592084
N-(1,3-benzothiazol-2-yl)-2-(tert-butylamino)acetamide
CID 47840976
N-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]propanamide
CID 47412721
4-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]benzoic acid
CID 3146680
ethyl 3-(1,3-benzothiazol-2-ylamino)-3-oxopropanoate
CID 790147
6-(1,3-benzothiazol-2-ylamino)-6-oxohexanoate
CID 2063722
N-(1,3-benzothiazol-2-yl)-5-hydroxypentanamide
CID 79198900
3-amino-N-(1,3-benzothiazol-2-yl)-3-sulfanylidenepropanamide
CID 43120469
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
2-(1,3-benzothiazol-2-ylamino)-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]acetamide
CID 9030622

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]acetamide (CID 25140302) is N-(1,3-benzothiazol-2-yl)-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]acetamide is O=C(CN/N=C/c1ccc(Br)cc1)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]acetamide?
The InChIKey is NFSBDYWGCTWYPV-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H13BrN4OS/c17-12-7-5-11(6-8-12)9-18-19-10-15(22)21-16-20-13-3-1-2-4-14(13)23-16/h1-9,19H,10H2,(H,20,21,22)/b18-9+.
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]acetamide?
N-(1,3-benzothiazol-2-yl)-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]acetamide has a molecular weight of 389.28 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]acetamide is sourced from PubChem (CID 25140302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).