N'-(4-bromophenyl)-2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetohydrazide

C18H19BrN4OS — CID 75402686

IUPACN'-(4-bromophenyl)-2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetohydrazide
SMILESCc1nc(-c2cc(C)n(CC(=O)NNc3ccc(Br)cc3)c2C)cs1
InChIInChI=1S/C18H19BrN4OS/c1-11-8-16(17-10-25-13(3)20-17)12(2)23(11)9-18(24)22-21-15-6-4-14(19)5-7-15/h4-8,10,21H,9H2,1-3H3,(H,22,24)
InChIKeyJOOSHGIGFZWDTG-UHFFFAOYSA-N
MW419.35 g/mol
LogP4.44
Rot. Bonds5

About N'-(4-bromophenyl)-2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetohydrazide

N'-(4-bromophenyl)-2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetohydrazide (PubChem CID 75402686) has the molecular formula C18H19BrN4OS and a molecular weight of 419.35 g/mol. Its IUPAC name is N'-(4-bromophenyl)-2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetohydrazide.

Molecular Properties

Compound NameN'-(4-bromophenyl)-2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetohydrazide
PubChem CID75402686
Molecular FormulaC18H19BrN4OS
Molecular Weight419.35 g/mol
Exact Mass418.05
IUPAC NameN'-(4-bromophenyl)-2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetohydrazide
SMILESCc1nc(-c2cc(C)n(CC(=O)NNc3ccc(Br)cc3)c2C)cs1
InChIInChI=1S/C18H19BrN4OS/c1-11-8-16(17-10-25-13(3)20-17)12(2)23(11)9-18(24)22-21-15-6-4-14(19)5-7-15/h4-8,10,21H,9H2,1-3H3,(H,22,24)
InChIKeyJOOSHGIGFZWDTG-UHFFFAOYSA-N
XLogP4.44
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.35
LogP ≤ 54.44
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

2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 33283365
N-(cyclobutylmethyl)-2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetamide
CID 38653658
2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 24631708
2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 24631847
2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 24631725
methyl 3-[[2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetyl]amino]-3-phenylpropanoate
CID 24631892
N-[(5-bromothiophen-2-yl)methyl]-2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-methylacetamide
CID 24631782
2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24631881
2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide
CID 24631819
2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-(oxolan-3-ylmethyl)acetamide
CID 51079019
N'-[2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 30599265
(3S)-3-[[2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetyl]amino]-N-ethylpyrrolidine-1-carboxamide
CID 96542189

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromophenyl)-2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetohydrazide?
The IUPAC name of N'-(4-bromophenyl)-2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetohydrazide (CID 75402686) is N'-(4-bromophenyl)-2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetohydrazide.
What is the SMILES notation for N'-(4-bromophenyl)-2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetohydrazide?
The canonical SMILES for N'-(4-bromophenyl)-2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetohydrazide is Cc1nc(-c2cc(C)n(CC(=O)NNc3ccc(Br)cc3)c2C)cs1.
What is the InChIKey of N'-(4-bromophenyl)-2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetohydrazide?
The InChIKey is JOOSHGIGFZWDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4OS/c1-11-8-16(17-10-25-13(3)20-17)12(2)23(11)9-18(24)22-21-15-6-4-14(19)5-7-15/h4-8,10,21H,9H2,1-3H3,(H,22,24).
What are the key properties of N'-(4-bromophenyl)-2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetohydrazide?
N'-(4-bromophenyl)-2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetohydrazide has a molecular weight of 419.35 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromophenyl)-2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetohydrazide is sourced from PubChem (CID 75402686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).