N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide

C22H21N3O3S — CID 33347805

IUPACN-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CC1)c1ccc(CN(C(=O)c2csc(-c3ccco3)n2)C2CC2)cc1
InChIInChI=1S/C22H21N3O3S/c26-20(23-16-7-8-16)15-5-3-14(4-6-15)12-25(17-9-10-17)22(27)18-13-29-21(24-18)19-2-1-11-28-19/h1-6,11,13,16-17H,7-10,12H2,(H,23,26)
InChIKeyAWJLYQDPMPJMTN-UHFFFAOYSA-N
MW407.50 g/mol
LogP4.10
Rot. Bonds7

About N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide

N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 33347805) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID33347805
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC NameN-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CC1)c1ccc(CN(C(=O)c2csc(-c3ccco3)n2)C2CC2)cc1
InChIInChI=1S/C22H21N3O3S/c26-20(23-16-7-8-16)15-5-3-14(4-6-15)12-25(17-9-10-17)22(27)18-13-29-21(24-18)19-2-1-11-28-19/h1-6,11,13,16-17H,7-10,12H2,(H,23,26)
InChIKeyAWJLYQDPMPJMTN-UHFFFAOYSA-N
XLogP4.10
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

2-(4-chlorophenyl)-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 46565883
N-cyclobutyl-2-(furan-2-yl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 102684223
N-cyclopropyl-4-[[cyclopropyl-(4-methoxybenzoyl)amino]methyl]benzamide
CID 34178936
N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 55804728
N-[(4-bromophenyl)methyl]-2-(furan-2-yl)-N-methyl-1,3-thiazole-4-carboxamide
CID 36702476
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 33340647
methyl 4-[[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]benzoate
CID 38021103
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-(furan-2-ylmethyl)-1-methylpyrazole-4-carboxamide
CID 78847716
N-(2-acetamidoethyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 36709264
2-(furan-2-yl)-N-methyl-N-(2-methylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 134020416
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 78883602
N-cyclopropyl-4-[[cyclopropyl(propanoyl)amino]methyl]benzamide
CID 33341018

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide (CID 33347805) is N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide is O=C(NC1CC1)c1ccc(CN(C(=O)c2csc(-c3ccco3)n2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is AWJLYQDPMPJMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S/c26-20(23-16-7-8-16)15-5-3-14(4-6-15)12-25(17-9-10-17)22(27)18-13-29-21(24-18)19-2-1-11-28-19/h1-6,11,13,16-17H,7-10,12H2,(H,23,26).
What are the key properties of N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide?
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 33347805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).