N'-(4-bromo-1-methylpyrrole-2-carbonyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide

C15H13BrN4O2S2 — CID 24533036

IUPACN'-(4-bromo-1-methylpyrrole-2-carbonyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2ccsc2)sc1C(=O)NNC(=O)c1cc(Br)cn1C
InChIInChI=1S/C15H13BrN4O2S2/c1-8-12(24-15(17-8)9-3-4-23-7-9)14(22)19-18-13(21)11-5-10(16)6-20(11)2/h3-7H,1-2H3,(H,18,21)(H,19,22)
InChIKeyPOIFQRBBNSJFKW-UHFFFAOYSA-N
MW425.33 g/mol
LogP3.36
Rot. Bonds3

About N'-(4-bromo-1-methylpyrrole-2-carbonyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide

N'-(4-bromo-1-methylpyrrole-2-carbonyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide (PubChem CID 24533036) has the molecular formula C15H13BrN4O2S2 and a molecular weight of 425.33 g/mol. Its IUPAC name is N'-(4-bromo-1-methylpyrrole-2-carbonyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(4-bromo-1-methylpyrrole-2-carbonyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide
PubChem CID24533036
Molecular FormulaC15H13BrN4O2S2
Molecular Weight425.33 g/mol
Exact Mass423.97
IUPAC NameN'-(4-bromo-1-methylpyrrole-2-carbonyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2ccsc2)sc1C(=O)NNC(=O)c1cc(Br)cn1C
InChIInChI=1S/C15H13BrN4O2S2/c1-8-12(24-15(17-8)9-3-4-23-7-9)14(22)19-18-13(21)11-5-10(16)6-20(11)2/h3-7H,1-2H3,(H,18,21)(H,19,22)
InChIKeyPOIFQRBBNSJFKW-UHFFFAOYSA-N
XLogP3.36
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.33
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dimethylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 17497475
N-cyano-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 79194223
4-methyl-N-phenyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 8871070
N'-(4-bromo-1-methylpyrrole-2-carbonyl)-2-phenyl-1,3-thiazole-4-carbohydrazide
CID 24533043
N-[(2R)-1-hydroxybutan-2-yl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 103920340
N'-(4-ethoxybenzoyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide
CID 9086489
4-methyl-N-(2-methylbutan-2-yl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 47119834
N-(2-methoxyethyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 17489055
N-(2-chloroprop-2-enyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 115636535
1-(4-fluorophenyl)-3-[(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)amino]thiourea
CID 9085390
N'-(4-bromo-1-methylpyrrole-2-carbonyl)-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide
CID 30376404
4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 26648334

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromo-1-methylpyrrole-2-carbonyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of N'-(4-bromo-1-methylpyrrole-2-carbonyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide (CID 24533036) is N'-(4-bromo-1-methylpyrrole-2-carbonyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for N'-(4-bromo-1-methylpyrrole-2-carbonyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for N'-(4-bromo-1-methylpyrrole-2-carbonyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide is Cc1nc(-c2ccsc2)sc1C(=O)NNC(=O)c1cc(Br)cn1C.
What is the InChIKey of N'-(4-bromo-1-methylpyrrole-2-carbonyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide?
The InChIKey is POIFQRBBNSJFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O2S2/c1-8-12(24-15(17-8)9-3-4-23-7-9)14(22)19-18-13(21)11-5-10(16)6-20(11)2/h3-7H,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N'-(4-bromo-1-methylpyrrole-2-carbonyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide?
N'-(4-bromo-1-methylpyrrole-2-carbonyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide has a molecular weight of 425.33 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromo-1-methylpyrrole-2-carbonyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 24533036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).