N-[2-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide

C17H21N3O3S — CID 47070902

IUPACN-[2-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide
SMILESCN(CC(=O)Nc1nc2c(s1)CCCCCC2)C(=O)c1ccco1
InChIInChI=1S/C17H21N3O3S/c1-20(16(22)13-8-6-10-23-13)11-15(21)19-17-18-12-7-4-2-3-5-9-14(12)24-17/h6,8,10H,2-5,7,9,11H2,1H3,(H,18,19,21)
InChIKeySMJRIUDRLXJIQJ-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.11
Rot. Bonds4

About N-[2-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide

N-[2-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide (PubChem CID 47070902) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[2-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide
PubChem CID47070902
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-[2-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide
SMILESCN(CC(=O)Nc1nc2c(s1)CCCCCC2)C(=O)c1ccco1
InChIInChI=1S/C17H21N3O3S/c1-20(16(22)13-8-6-10-23-13)11-15(21)19-17-18-12-7-4-2-3-5-9-14(12)24-17/h6,8,10H,2-5,7,9,11H2,1H3,(H,18,19,21)
InChIKeySMJRIUDRLXJIQJ-UHFFFAOYSA-N
XLogP3.11
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 33041075
N-[2-[[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 30695153
2-[2-aminoethyl(2-phenylethyl)amino]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 120872364
N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]furan-2-carboxamide
CID 26897595
N-[2-[[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 30874585
1-(furan-2-ylmethyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea
CID 19676492
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 930096
2-N-benzyl-2-N-methyl-1-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 2545950
N-[2-(2-fluoroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 35555182
2-(2-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 6466381
N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-methoxyacetamide
CID 47379488
2-(2-methyl-N-methylsulfonylanilino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 8025177

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide?
The IUPAC name of N-[2-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide (CID 47070902) is N-[2-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-[2-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for N-[2-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide is CN(CC(=O)Nc1nc2c(s1)CCCCCC2)C(=O)c1ccco1.
What is the InChIKey of N-[2-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide?
The InChIKey is SMJRIUDRLXJIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-20(16(22)13-8-6-10-23-13)11-15(21)19-17-18-12-7-4-2-3-5-9-14(12)24-17/h6,8,10H,2-5,7,9,11H2,1H3,(H,18,19,21).
What are the key properties of N-[2-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide?
N-[2-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 47070902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).