N'-(4-bromo-1-methylpyrrole-2-carbonyl)-2-phenyl-1,3-thiazole-4-carbohydrazide

C16H13BrN4O2S — CID 24533043

IUPACN'-(4-bromo-1-methylpyrrole-2-carbonyl)-2-phenyl-1,3-thiazole-4-carbohydrazide
SMILESCn1cc(Br)cc1C(=O)NNC(=O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C16H13BrN4O2S/c1-21-8-11(17)7-13(21)15(23)20-19-14(22)12-9-24-16(18-12)10-5-3-2-4-6-10/h2-9H,1H3,(H,19,22)(H,20,23)
InChIKeyGERCLMMKGUUVTF-UHFFFAOYSA-N
MW405.28 g/mol
LogP2.99
Rot. Bonds3

About N'-(4-bromo-1-methylpyrrole-2-carbonyl)-2-phenyl-1,3-thiazole-4-carbohydrazide

N'-(4-bromo-1-methylpyrrole-2-carbonyl)-2-phenyl-1,3-thiazole-4-carbohydrazide (PubChem CID 24533043) has the molecular formula C16H13BrN4O2S and a molecular weight of 405.28 g/mol. Its IUPAC name is N'-(4-bromo-1-methylpyrrole-2-carbonyl)-2-phenyl-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-bromo-1-methylpyrrole-2-carbonyl)-2-phenyl-1,3-thiazole-4-carbohydrazide
PubChem CID24533043
Molecular FormulaC16H13BrN4O2S
Molecular Weight405.28 g/mol
Exact Mass403.99
IUPAC NameN'-(4-bromo-1-methylpyrrole-2-carbonyl)-2-phenyl-1,3-thiazole-4-carbohydrazide
SMILESCn1cc(Br)cc1C(=O)NNC(=O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C16H13BrN4O2S/c1-21-8-11(17)7-13(21)15(23)20-19-14(22)12-9-24-16(18-12)10-5-3-2-4-6-10/h2-9H,1H3,(H,19,22)(H,20,23)
InChIKeyGERCLMMKGUUVTF-UHFFFAOYSA-N
XLogP2.99
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.28
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-chlorobenzoyl)-2-phenyl-1,3-thiazole-4-carbohydrazide
CID 55386497
N-ethyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 17398194
N'-(4-bromo-1-methylpyrrole-2-carbonyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide
CID 24533036
N'-(4-ethoxy-3-methoxybenzoyl)-2-phenyl-1,3-thiazole-4-carbohydrazide
CID 55438760
4-bromo-1-methyl-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]pyrrole-2-carbohydrazide
CID 24533009
4-bromo-1-methyl-N'-(2-thiophen-2-ylacetyl)pyrrole-2-carbohydrazide
CID 27021573
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 51205846
N'-(2-chlorobenzoyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carbohydrazide
CID 35929815
4-bromo-N'-(4-fluorobenzoyl)-1-methylpyrrole-2-carbohydrazide
CID 27036737
N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 99982931
4-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-1-methylpyrrole-2-carboxamide
CID 113349883
4-bromo-N'-[2-(4-methoxyphenyl)acetyl]-1-methylpyrrole-2-carbohydrazide
CID 24532949

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromo-1-methylpyrrole-2-carbonyl)-2-phenyl-1,3-thiazole-4-carbohydrazide?
The IUPAC name of N'-(4-bromo-1-methylpyrrole-2-carbonyl)-2-phenyl-1,3-thiazole-4-carbohydrazide (CID 24533043) is N'-(4-bromo-1-methylpyrrole-2-carbonyl)-2-phenyl-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for N'-(4-bromo-1-methylpyrrole-2-carbonyl)-2-phenyl-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for N'-(4-bromo-1-methylpyrrole-2-carbonyl)-2-phenyl-1,3-thiazole-4-carbohydrazide is Cn1cc(Br)cc1C(=O)NNC(=O)c1csc(-c2ccccc2)n1.
What is the InChIKey of N'-(4-bromo-1-methylpyrrole-2-carbonyl)-2-phenyl-1,3-thiazole-4-carbohydrazide?
The InChIKey is GERCLMMKGUUVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN4O2S/c1-21-8-11(17)7-13(21)15(23)20-19-14(22)12-9-24-16(18-12)10-5-3-2-4-6-10/h2-9H,1H3,(H,19,22)(H,20,23).
What are the key properties of N'-(4-bromo-1-methylpyrrole-2-carbonyl)-2-phenyl-1,3-thiazole-4-carbohydrazide?
N'-(4-bromo-1-methylpyrrole-2-carbonyl)-2-phenyl-1,3-thiazole-4-carbohydrazide has a molecular weight of 405.28 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromo-1-methylpyrrole-2-carbonyl)-2-phenyl-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 24533043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).