5-bromo-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]furan-2-carboxamide

C14H13BrN4O2S — CID 5161301

IUPAC5-bromo-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]furan-2-carboxamide
SMILESCc1ncsc1CCn1cc(NC(=O)c2ccc(Br)o2)cn1
InChIInChI=1S/C14H13BrN4O2S/c1-9-12(22-8-16-9)4-5-19-7-10(6-17-19)18-14(20)11-2-3-13(15)21-11/h2-3,6-8H,4-5H2,1H3,(H,18,20)
InChIKeyQXNXOVQRRSPRGK-UHFFFAOYSA-N
MW381.26 g/mol
LogP3.50
Rot. Bonds5

About 5-bromo-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]furan-2-carboxamide

5-bromo-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]furan-2-carboxamide (PubChem CID 5161301) has the molecular formula C14H13BrN4O2S and a molecular weight of 381.26 g/mol. Its IUPAC name is 5-bromo-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]furan-2-carboxamide
PubChem CID5161301
Molecular FormulaC14H13BrN4O2S
Molecular Weight381.26 g/mol
Exact Mass379.99
IUPAC Name5-bromo-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]furan-2-carboxamide
SMILESCc1ncsc1CCn1cc(NC(=O)c2ccc(Br)o2)cn1
InChIInChI=1S/C14H13BrN4O2S/c1-9-12(22-8-16-9)4-5-19-7-10(6-17-19)18-14(20)11-2-3-13(15)21-11/h2-3,6-8H,4-5H2,1H3,(H,18,20)
InChIKeyQXNXOVQRRSPRGK-UHFFFAOYSA-N
XLogP3.50
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-bromo-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 3820721
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(2-phenylethyl)pyrazol-4-yl]furan-2-carboxamide
CID 95744472
methyl 2-[4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetate
CID 47292002
5-bromo-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 39891817
4-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
CID 121419957
5-[(2-bromophenoxy)methyl]-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]furan-2-carboxamide
CID 95744203
4-(bromomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 102851174
5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-[(4-bromophenoxy)methyl]furan-2-carboxamide
CID 55848411
5-bromo-N-[3-(3-pyrazol-1-ylpropylcarbamoyl)phenyl]furan-2-carboxamide
CID 55774997
4-[(dimethylamino)methyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
CID 136523458
5-bromo-N-[4-(4-bromopyrazol-1-yl)phenyl]furan-2-carboxamide
CID 35537874

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]furan-2-carboxamide (CID 5161301) is 5-bromo-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]furan-2-carboxamide is Cc1ncsc1CCn1cc(NC(=O)c2ccc(Br)o2)cn1.
What is the InChIKey of 5-bromo-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]furan-2-carboxamide?
The InChIKey is QXNXOVQRRSPRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O2S/c1-9-12(22-8-16-9)4-5-19-7-10(6-17-19)18-14(20)11-2-3-13(15)21-11/h2-3,6-8H,4-5H2,1H3,(H,18,20).
What are the key properties of 5-bromo-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]furan-2-carboxamide?
5-bromo-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]furan-2-carboxamide has a molecular weight of 381.26 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 5161301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).