N-[1-(5-methylfuran-2-yl)ethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide

C18H18N2O2S2 — CID 134046822

IUPACN-[1-(5-methylfuran-2-yl)ethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
SMILESCc1ccc(C(C)NC(=O)c2ccccc2SCc2cscn2)o1
InChIInChI=1S/C18H18N2O2S2/c1-12-7-8-16(22-12)13(2)20-18(21)15-5-3-4-6-17(15)24-10-14-9-23-11-19-14/h3-9,11,13H,10H2,1-2H3,(H,20,21)
InChIKeyPTAKMEZVNPDNBH-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.83
Rot. Bonds6

About N-[1-(5-methylfuran-2-yl)ethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide

N-[1-(5-methylfuran-2-yl)ethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide (PubChem CID 134046822) has the molecular formula C18H18N2O2S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[1-(5-methylfuran-2-yl)ethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[1-(5-methylfuran-2-yl)ethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
PubChem CID134046822
Molecular FormulaC18H18N2O2S2
Molecular Weight358.49 g/mol
Exact Mass358.08
IUPAC NameN-[1-(5-methylfuran-2-yl)ethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
SMILESCc1ccc(C(C)NC(=O)c2ccccc2SCc2cscn2)o1
InChIInChI=1S/C18H18N2O2S2/c1-12-7-8-16(22-12)13(2)20-18(21)15-5-3-4-6-17(15)24-10-14-9-23-11-19-14/h3-9,11,13H,10H2,1-2H3,(H,20,21)
InChIKeyPTAKMEZVNPDNBH-UHFFFAOYSA-N
XLogP4.83
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 55653824
N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 63049931
N-[(3-methylphenyl)methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 33283315
N-[2-(dimethylamino)-2-phenylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 47021185
N'-[2-(4-chlorophenyl)acetyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzohydrazide
CID 55555197
N-(5-fluoro-2-methylphenyl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 55528362
N-[2-(2-methoxyphenyl)ethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 36653546
5-ethyl-4-methyl-N'-[2-(1,3-thiazol-4-ylmethylsulfanyl)benzoyl]thiophene-2-carbohydrazide
CID 43048855
N-[3-(1-phenylethoxy)propyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 46550057
N-pyridin-3-yl-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 30887149
N'-[2-(2-ethylphenoxy)acetyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzohydrazide
CID 55536973
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 120946073

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide (CID 134046822) is N-[1-(5-methylfuran-2-yl)ethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-[1-(5-methylfuran-2-yl)ethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-[1-(5-methylfuran-2-yl)ethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide is Cc1ccc(C(C)NC(=O)c2ccccc2SCc2cscn2)o1.
What is the InChIKey of N-[1-(5-methylfuran-2-yl)ethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The InChIKey is PTAKMEZVNPDNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S2/c1-12-7-8-16(22-12)13(2)20-18(21)15-5-3-4-6-17(15)24-10-14-9-23-11-19-14/h3-9,11,13H,10H2,1-2H3,(H,20,21).
What are the key properties of N-[1-(5-methylfuran-2-yl)ethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
N-[1-(5-methylfuran-2-yl)ethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide has a molecular weight of 358.49 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylfuran-2-yl)ethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 134046822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).