N-[(Z)-[2-(3-bromophenyl)-1,3-thiazol-4-yl]methylideneamino]cyclopropanecarboxamide

C14H12BrN3OS — CID 9234450

IUPACN-[(Z)-[2-(3-bromophenyl)-1,3-thiazol-4-yl]methylideneamino]cyclopropanecarboxamide
SMILESO=C(N/N=C\c1csc(-c2cccc(Br)c2)n1)C1CC1
InChIInChI=1S/C14H12BrN3OS/c15-11-3-1-2-10(6-11)14-17-12(8-20-14)7-16-18-13(19)9-4-5-9/h1-3,6-9H,4-5H2,(H,18,19)/b16-7-
InChIKeyBTXKNYMQRHOLQI-APSNUPSMSA-N
MW350.24 g/mol
LogP3.43
Rot. Bonds4

About N-[(Z)-[2-(3-bromophenyl)-1,3-thiazol-4-yl]methylideneamino]cyclopropanecarboxamide

N-[(Z)-[2-(3-bromophenyl)-1,3-thiazol-4-yl]methylideneamino]cyclopropanecarboxamide (PubChem CID 9234450) has the molecular formula C14H12BrN3OS and a molecular weight of 350.24 g/mol. Its IUPAC name is N-[(Z)-[2-(3-bromophenyl)-1,3-thiazol-4-yl]methylideneamino]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(Z)-[2-(3-bromophenyl)-1,3-thiazol-4-yl]methylideneamino]cyclopropanecarboxamide
PubChem CID9234450
Molecular FormulaC14H12BrN3OS
Molecular Weight350.24 g/mol
Exact Mass348.99
IUPAC NameN-[(Z)-[2-(3-bromophenyl)-1,3-thiazol-4-yl]methylideneamino]cyclopropanecarboxamide
SMILESO=C(N/N=C\c1csc(-c2cccc(Br)c2)n1)C1CC1
InChIInChI=1S/C14H12BrN3OS/c15-11-3-1-2-10(6-11)14-17-12(8-20-14)7-16-18-13(19)9-4-5-9/h1-3,6-9H,4-5H2,(H,18,19)/b16-7-
InChIKeyBTXKNYMQRHOLQI-APSNUPSMSA-N
XLogP3.43
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[(Z)-[2-(3-bromophenyl)-1,3-thiazol-4-yl]methylideneamino]thiophene-2-carboxamide
CID 9176526
N-[(Z)-(3-bromophenyl)methylideneamino]cyclopropanecarboxamide
CID 5414194
N-[(E)-(4-bromothiophen-2-yl)methylideneamino]cyclopropanecarboxamide
CID 42995239
N-[(Z)-(4-bromophenyl)methylideneamino]cyclopropanecarboxamide
CID 5394876
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(4-methylcyclohexyl)acetamide
CID 55363994
1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid
CID 119907162
N-(quinoxalin-2-ylmethylideneamino)cyclopropanecarboxamide
CID 1223964
N-[(Z)-1-(3-bromophenyl)propylideneamino]cyclopropanecarboxamide
CID 9233990
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119563341
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 30267673
1-(azocan-1-yl)-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]ethanone
CID 55374619
1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-ol
CID 33186793

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-(3-bromophenyl)-1,3-thiazol-4-yl]methylideneamino]cyclopropanecarboxamide?
The IUPAC name of N-[(Z)-[2-(3-bromophenyl)-1,3-thiazol-4-yl]methylideneamino]cyclopropanecarboxamide (CID 9234450) is N-[(Z)-[2-(3-bromophenyl)-1,3-thiazol-4-yl]methylideneamino]cyclopropanecarboxamide.
What is the SMILES notation for N-[(Z)-[2-(3-bromophenyl)-1,3-thiazol-4-yl]methylideneamino]cyclopropanecarboxamide?
The canonical SMILES for N-[(Z)-[2-(3-bromophenyl)-1,3-thiazol-4-yl]methylideneamino]cyclopropanecarboxamide is O=C(N/N=C\c1csc(-c2cccc(Br)c2)n1)C1CC1.
What is the InChIKey of N-[(Z)-[2-(3-bromophenyl)-1,3-thiazol-4-yl]methylideneamino]cyclopropanecarboxamide?
The InChIKey is BTXKNYMQRHOLQI-APSNUPSMSA-N. The full InChI is InChI=1S/C14H12BrN3OS/c15-11-3-1-2-10(6-11)14-17-12(8-20-14)7-16-18-13(19)9-4-5-9/h1-3,6-9H,4-5H2,(H,18,19)/b16-7-.
What are the key properties of N-[(Z)-[2-(3-bromophenyl)-1,3-thiazol-4-yl]methylideneamino]cyclopropanecarboxamide?
N-[(Z)-[2-(3-bromophenyl)-1,3-thiazol-4-yl]methylideneamino]cyclopropanecarboxamide has a molecular weight of 350.24 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-(3-bromophenyl)-1,3-thiazol-4-yl]methylideneamino]cyclopropanecarboxamide is sourced from PubChem (CID 9234450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).