N-(furan-2-ylmethyl)-2-(2-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide

C18H18N2O3S — CID 46067257

IUPACN-(furan-2-ylmethyl)-2-(2-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)Oc1ccccc1-c1nc(C(=O)NCc2ccco2)cs1
InChIInChI=1S/C18H18N2O3S/c1-12(2)23-16-8-4-3-7-14(16)18-20-15(11-24-18)17(21)19-10-13-6-5-9-22-13/h3-9,11-12H,10H2,1-2H3,(H,19,21)
InChIKeyMHILZRJZYQWXNY-UHFFFAOYSA-N
MW342.42 g/mol
LogP4.12
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-(2-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide

N-(furan-2-ylmethyl)-2-(2-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 46067257) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(2-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(2-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID46067257
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-(furan-2-ylmethyl)-2-(2-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)Oc1ccccc1-c1nc(C(=O)NCc2ccco2)cs1
InChIInChI=1S/C18H18N2O3S/c1-12(2)23-16-8-4-3-7-14(16)18-20-15(11-24-18)17(21)19-10-13-6-5-9-22-13/h3-9,11-12H,10H2,1-2H3,(H,19,21)
InChIKeyMHILZRJZYQWXNY-UHFFFAOYSA-N
XLogP4.12
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-2-[2-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 42866415
2-[2-(2-methoxyethoxy)phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46067434
N-(furan-2-ylmethyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108945134
2-N-(furan-2-ylmethyl)-6-N-(4-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide
CID 109097171
2-[2-(2-methoxyethoxy)phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 42867054
N-[(2R)-2-(dimethylamino)propyl]-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 94829447
N-(furan-2-ylmethyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84555759
N-(furan-2-ylmethyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555623
2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 42865996
N-(furan-2-ylmethyl)-2-[4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46065753
(2R)-N-(furan-2-ylmethyl)-2-[(2-propan-2-yloxyphenyl)carbamoylamino]propanamide
CID 95239498
N-(furan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole-4-carboxamide
CID 71840415

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(2-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(2-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide (CID 46067257) is N-(furan-2-ylmethyl)-2-(2-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(2-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(2-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide is CC(C)Oc1ccccc1-c1nc(C(=O)NCc2ccco2)cs1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(2-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is MHILZRJZYQWXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-12(2)23-16-8-4-3-7-14(16)18-20-15(11-24-18)17(21)19-10-13-6-5-9-22-13/h3-9,11-12H,10H2,1-2H3,(H,19,21).
What are the key properties of N-(furan-2-ylmethyl)-2-(2-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide?
N-(furan-2-ylmethyl)-2-(2-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(2-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46067257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).