N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide

C16H15N3O2S2 — CID 39129843

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(-c2nc(CC(=O)Nc3nc(C4CC4)cs3)cs2)o1
InChIInChI=1S/C16H15N3O2S2/c1-9-2-5-13(21-9)15-17-11(7-22-15)6-14(20)19-16-18-12(8-23-16)10-3-4-10/h2,5,7-8,10H,3-4,6H2,1H3,(H,18,19,20)
InChIKeyIJSOWOPTLLVPJX-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.23
Rot. Bonds5

About N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide

N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 39129843) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID39129843
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(-c2nc(CC(=O)Nc3nc(C4CC4)cs3)cs2)o1
InChIInChI=1S/C16H15N3O2S2/c1-9-2-5-13(21-9)15-17-11(7-22-15)6-14(20)19-16-18-12(8-23-16)10-3-4-10/h2,5,7-8,10H,3-4,6H2,1H3,(H,18,19,20)
InChIKeyIJSOWOPTLLVPJX-UHFFFAOYSA-N
XLogP4.23
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 28819374
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 32865071
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 47026275
methyl 4-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 46422675
S-[4-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56529514
3-cyclohexyl-N'-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]propanehydrazide
CID 91642151
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[3-(phenylcarbamoylamino)phenyl]acetamide
CID 55607967
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 55606036
N-[2,4-di(propan-2-yl)phenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 34447886
N-(4-bromo-2-fluorophenyl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 39089077
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 46450701
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]acetamide
CID 55798738

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide (CID 39129843) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide is Cc1ccc(-c2nc(CC(=O)Nc3nc(C4CC4)cs3)cs2)o1.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is IJSOWOPTLLVPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c1-9-2-5-13(21-9)15-17-11(7-22-15)6-14(20)19-16-18-12(8-23-16)10-3-4-10/h2,5,7-8,10H,3-4,6H2,1H3,(H,18,19,20).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 345.45 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 39129843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).