N-[3-[(6-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide

C16H15N3O3S — CID 2555545

IUPACN-[3-[(6-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide
SMILESCc1ccc2nc(NC(=O)CCNC(=O)c3ccco3)sc2c1
InChIInChI=1S/C16H15N3O3S/c1-10-4-5-11-13(9-10)23-16(18-11)19-14(20)6-7-17-15(21)12-3-2-8-22-12/h2-5,8-9H,6-7H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyXPMGXOJTVWUKBR-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.96
Rot. Bonds5

About N-[3-[(6-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide

N-[3-[(6-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide (PubChem CID 2555545) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-[3-[(6-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(6-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide
PubChem CID2555545
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN-[3-[(6-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide
SMILESCc1ccc2nc(NC(=O)CCNC(=O)c3ccco3)sc2c1
InChIInChI=1S/C16H15N3O3S/c1-10-4-5-11-13(9-10)23-16(18-11)19-14(20)6-7-17-15(21)12-3-2-8-22-12/h2-5,8-9H,6-7H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyXPMGXOJTVWUKBR-UHFFFAOYSA-N
XLogP2.96
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 682912
N-[3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide
CID 2114344
N-(2-hydroxyethyl)-N'-(6-methyl-1,3-benzothiazol-2-yl)butanediamide
CID 2067233
3-(tert-butylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 60851102
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 6472660
N-(6-ethyl-1,3-benzothiazol-2-yl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide
CID 38999972
N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide
CID 26723709
N-[3-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide
CID 18077952
methyl 4-[(6-methyl-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate
CID 110756987
N-[3-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylamino)-3-oxopropyl]-3-methylbenzamide
CID 17483763
ethyl 2-(furan-2-carbonylamino)-1,3-benzothiazole-6-carboxylate
CID 646260
1-(furan-2-carbonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 6463050

Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[(6-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide (CID 2555545) is N-[3-[(6-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(6-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(6-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide is Cc1ccc2nc(NC(=O)CCNC(=O)c3ccco3)sc2c1.
What is the InChIKey of N-[3-[(6-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is XPMGXOJTVWUKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-10-4-5-11-13(9-10)23-16(18-11)19-14(20)6-7-17-15(21)12-3-2-8-22-12/h2-5,8-9H,6-7H2,1H3,(H,17,21)(H,18,19,20).
What are the key properties of N-[3-[(6-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide?
N-[3-[(6-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 2555545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).