N-cyclopropyl-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]furan-2-carboxamide

C20H20N2O4S — CID 46006349

IUPACN-cyclopropyl-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]furan-2-carboxamide
SMILESO=C(c1ccco1)N(Cc1ccc(OCc2nc(CO)cs2)cc1)C1CC1
InChIInChI=1S/C20H20N2O4S/c23-11-15-13-27-19(21-15)12-26-17-7-3-14(4-8-17)10-22(16-5-6-16)20(24)18-2-1-9-25-18/h1-4,7-9,13,16,23H,5-6,10-12H2
InChIKeyXSDPCSDWKXMYLT-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.61
Rot. Bonds8

About N-cyclopropyl-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]furan-2-carboxamide

N-cyclopropyl-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]furan-2-carboxamide (PubChem CID 46006349) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-cyclopropyl-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]furan-2-carboxamide
PubChem CID46006349
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC NameN-cyclopropyl-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]furan-2-carboxamide
SMILESO=C(c1ccco1)N(Cc1ccc(OCc2nc(CO)cs2)cc1)C1CC1
InChIInChI=1S/C20H20N2O4S/c23-11-15-13-27-19(21-15)12-26-17-7-3-14(4-8-17)10-22(16-5-6-16)20(24)18-2-1-9-25-18/h1-4,7-9,13,16,23H,5-6,10-12H2
InChIKeyXSDPCSDWKXMYLT-UHFFFAOYSA-N
XLogP3.61
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-3-methylbenzamide
CID 42836686
N-cyclohexyl-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-2-methoxyacetamide
CID 42836691
N-(cyclopropylmethyl)-2-fluoro-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]benzamide
CID 42836695
N-[[5-chloro-2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-N-propan-2-ylfuran-2-carboxamide
CID 42836750
1-cyclopropyl-3-ethyl-1-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]urea
CID 24714685
N-cyclopropyl-3-methyl-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 42682443
2-[(4-chlorophenoxy)methyl]-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 55583728
N-benzyl-N-(furan-2-ylmethyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 37428292
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 62045651
N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-cyclopropylpropanamide
CID 46008391
N-[4-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 27163763
N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylfuran-2-carboxamide
CID 46009384

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]furan-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]furan-2-carboxamide (CID 46006349) is N-cyclopropyl-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]furan-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]furan-2-carboxamide is O=C(c1ccco1)N(Cc1ccc(OCc2nc(CO)cs2)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]furan-2-carboxamide?
The InChIKey is XSDPCSDWKXMYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c23-11-15-13-27-19(21-15)12-26-17-7-3-14(4-8-17)10-22(16-5-6-16)20(24)18-2-1-9-25-18/h1-4,7-9,13,16,23H,5-6,10-12H2.
What are the key properties of N-cyclopropyl-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]furan-2-carboxamide?
N-cyclopropyl-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]furan-2-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 46006349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).