N-[3-[1,3-benzothiazol-2-yl(methyl)amino]-3-oxopropyl]furan-2-carboxamide

C16H15N3O3S — CID 34252979

IUPACN-[3-[1,3-benzothiazol-2-yl(methyl)amino]-3-oxopropyl]furan-2-carboxamide
SMILESCN(C(=O)CCNC(=O)c1ccco1)c1nc2ccccc2s1
InChIInChI=1S/C16H15N3O3S/c1-19(16-18-11-5-2-3-7-13(11)23-16)14(20)8-9-17-15(21)12-6-4-10-22-12/h2-7,10H,8-9H2,1H3,(H,17,21)
InChIKeyCYBMPHMHEUBPBR-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.67
Rot. Bonds5

About N-[3-[1,3-benzothiazol-2-yl(methyl)amino]-3-oxopropyl]furan-2-carboxamide

N-[3-[1,3-benzothiazol-2-yl(methyl)amino]-3-oxopropyl]furan-2-carboxamide (PubChem CID 34252979) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-[3-[1,3-benzothiazol-2-yl(methyl)amino]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[1,3-benzothiazol-2-yl(methyl)amino]-3-oxopropyl]furan-2-carboxamide
PubChem CID34252979
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN-[3-[1,3-benzothiazol-2-yl(methyl)amino]-3-oxopropyl]furan-2-carboxamide
SMILESCN(C(=O)CCNC(=O)c1ccco1)c1nc2ccccc2s1
InChIInChI=1S/C16H15N3O3S/c1-19(16-18-11-5-2-3-7-13(11)23-16)14(20)8-9-17-15(21)12-6-4-10-22-12/h2-7,10H,8-9H2,1H3,(H,17,21)
InChIKeyCYBMPHMHEUBPBR-UHFFFAOYSA-N
XLogP2.67
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[1,3-benzothiazol-2-yl(oxolan-2-ylmethyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 4803455
N-[3-[2-(1,3-benzothiazol-2-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide
CID 39966747
N-[2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-2-oxoethyl]furan-2-carboxamide
CID 9406398
N-[3-[benzyl-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide
CID 30698934
N-(1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)-N-methylpropanamide
CID 34256400
N-[2-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]ethyl]furan-2-carboxamide
CID 43049275
N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)furan-2-carboxamide
CID 52533642
N-[3-[1-hydroxypropan-2-yl(methyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 109388581
N-[2-[[2-(1,3-benzothiazol-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 24543366
N-[3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxopropyl]furan-2-carboxamide
CID 9452134
N-(1,3-benzothiazol-2-yl)-N-(3,5-dimethylphenyl)-3-[(2-phenylacetyl)amino]propanamide
CID 24593276
N-[3-[(6-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide
CID 2555545

Frequently Asked Questions

What is the IUPAC name of N-[3-[1,3-benzothiazol-2-yl(methyl)amino]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[1,3-benzothiazol-2-yl(methyl)amino]-3-oxopropyl]furan-2-carboxamide (CID 34252979) is N-[3-[1,3-benzothiazol-2-yl(methyl)amino]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[1,3-benzothiazol-2-yl(methyl)amino]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[1,3-benzothiazol-2-yl(methyl)amino]-3-oxopropyl]furan-2-carboxamide is CN(C(=O)CCNC(=O)c1ccco1)c1nc2ccccc2s1.
What is the InChIKey of N-[3-[1,3-benzothiazol-2-yl(methyl)amino]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is CYBMPHMHEUBPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-19(16-18-11-5-2-3-7-13(11)23-16)14(20)8-9-17-15(21)12-6-4-10-22-12/h2-7,10H,8-9H2,1H3,(H,17,21).
What are the key properties of N-[3-[1,3-benzothiazol-2-yl(methyl)amino]-3-oxopropyl]furan-2-carboxamide?
N-[3-[1,3-benzothiazol-2-yl(methyl)amino]-3-oxopropyl]furan-2-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1,3-benzothiazol-2-yl(methyl)amino]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 34252979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).