N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carbohydrazide

C15H11BrN4OS — CID 90803773

IUPACN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carbohydrazide
SMILESNN(C(=O)c1cccnc1)c1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C15H11BrN4OS/c16-12-5-3-10(4-6-12)13-9-22-15(19-13)20(17)14(21)11-2-1-7-18-8-11/h1-9H,17H2
InChIKeyAXLVORTZHPVXCZ-UHFFFAOYSA-N
MW375.25 g/mol
LogP3.49
Rot. Bonds3

About N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carbohydrazide

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carbohydrazide (PubChem CID 90803773) has the molecular formula C15H11BrN4OS and a molecular weight of 375.25 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carbohydrazide
PubChem CID90803773
Molecular FormulaC15H11BrN4OS
Molecular Weight375.25 g/mol
Exact Mass373.98
IUPAC NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carbohydrazide
SMILESNN(C(=O)c1cccnc1)c1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C15H11BrN4OS/c16-12-5-3-10(4-6-12)13-9-22-15(19-13)20(17)14(21)11-2-1-7-18-8-11/h1-9H,17H2
InChIKeyAXLVORTZHPVXCZ-UHFFFAOYSA-N
XLogP3.49
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.25
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide
CID 40547504
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzohydrazide
CID 91558416
N-amino-N-hydroxypyridine-3-carboxamide
CID 54392890
2-(4-phenyl-1,3-thiazol-2-yl)-1-pyridin-3-ylethanone
CID 112731528
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-tert-butyl-N-propylbenzamide
CID 22433145
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-ethyl-2-methoxybenzamide
CID 22433390
N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 861587
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-propylfuran-2-carboxamide
CID 22433175
4-(4-bromophenyl)-2-pyrimidin-2-yl-1,3-thiazole
CID 79839724
2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]-1-phenylethanone
CID 3406773
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-thiophen-2-ylformamide
CID 53433351
N-[3-[4-(2-amino-1,3-thiazol-4-yl)anilino]-3-oxopropyl]-N-(2,3-dihydro-1H-inden-2-yl)pyridine-3-carboxamide
CID 5272470

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carbohydrazide?
The IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carbohydrazide (CID 90803773) is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carbohydrazide.
What is the SMILES notation for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carbohydrazide?
The canonical SMILES for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carbohydrazide is NN(C(=O)c1cccnc1)c1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carbohydrazide?
The InChIKey is AXLVORTZHPVXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN4OS/c16-12-5-3-10(4-6-12)13-9-22-15(19-13)20(17)14(21)11-2-1-7-18-8-11/h1-9H,17H2.
What are the key properties of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carbohydrazide?
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carbohydrazide has a molecular weight of 375.25 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carbohydrazide is sourced from PubChem (CID 90803773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).