N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-4-(imidazol-1-ylmethyl)benzamide

C20H18N4O2S — CID 121123630

IUPACN-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-4-(imidazol-1-ylmethyl)benzamide
SMILESCc1nc(-c2ccco2)sc1CNC(=O)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C20H18N4O2S/c1-14-18(27-20(23-14)17-3-2-10-26-17)11-22-19(25)16-6-4-15(5-7-16)12-24-9-8-21-13-24/h2-10,13H,11-12H2,1H3,(H,22,25)
InChIKeyIZZHAPNFAZNSHQ-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.89
Rot. Bonds6

About N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-4-(imidazol-1-ylmethyl)benzamide

N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-4-(imidazol-1-ylmethyl)benzamide (PubChem CID 121123630) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-4-(imidazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-4-(imidazol-1-ylmethyl)benzamide
PubChem CID121123630
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC NameN-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-4-(imidazol-1-ylmethyl)benzamide
SMILESCc1nc(-c2ccco2)sc1CNC(=O)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C20H18N4O2S/c1-14-18(27-20(23-14)17-3-2-10-26-17)11-22-19(25)16-6-4-15(5-7-16)12-24-9-8-21-13-24/h2-10,13H,11-12H2,1H3,(H,22,25)
InChIKeyIZZHAPNFAZNSHQ-UHFFFAOYSA-N
XLogP3.89
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3,4-dimethylbenzamide
CID 121123528
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-1,2-oxazole-5-carboxamide
CID 121123610
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrazine-2-carboxamide
CID 121123691
N-[4-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 37425019
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-nitrobenzamide
CID 121123486
1-[(4-fluorophenyl)methyl]-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea
CID 71795691
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-(trifluoromethyl)benzamide
CID 121123542
2-fluoro-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]benzamide
CID 121123478
N-[2-(furan-2-yl)-2-hydroxypropyl]-4-(imidazol-1-ylmethyl)benzamide
CID 111482745
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 121123601
4-(imidazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 43921854
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-methylbutanamide
CID 121123522

Frequently Asked Questions

What is the IUPAC name of N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-4-(imidazol-1-ylmethyl)benzamide?
The IUPAC name of N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-4-(imidazol-1-ylmethyl)benzamide (CID 121123630) is N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-4-(imidazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-4-(imidazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-4-(imidazol-1-ylmethyl)benzamide is Cc1nc(-c2ccco2)sc1CNC(=O)c1ccc(Cn2ccnc2)cc1.
What is the InChIKey of N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-4-(imidazol-1-ylmethyl)benzamide?
The InChIKey is IZZHAPNFAZNSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-14-18(27-20(23-14)17-3-2-10-26-17)11-22-19(25)16-6-4-15(5-7-16)12-24-9-8-21-13-24/h2-10,13H,11-12H2,1H3,(H,22,25).
What are the key properties of N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-4-(imidazol-1-ylmethyl)benzamide?
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-4-(imidazol-1-ylmethyl)benzamide has a molecular weight of 378.46 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-4-(imidazol-1-ylmethyl)benzamide is sourced from PubChem (CID 121123630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).