N-[6-[2-[[(2R)-1-(furan-2-yl)propan-2-yl]amino]-2-oxoethyl]-1,3-benzothiazol-2-yl]propanamide

C19H21N3O3S — CID 92866148

IUPACN-[6-[2-[[(2R)-1-(furan-2-yl)propan-2-yl]amino]-2-oxoethyl]-1,3-benzothiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc2ccc(CC(=O)N[C@H](C)Cc3ccco3)cc2s1
InChIInChI=1S/C19H21N3O3S/c1-3-17(23)22-19-21-15-7-6-13(10-16(15)26-19)11-18(24)20-12(2)9-14-5-4-8-25-14/h4-8,10,12H,3,9,11H2,1-2H3,(H,20,24)(H,21,22,23)/t12-/m1/s1
InChIKeyVWZGLDSXLQTMBE-GFCCVEGCSA-N
MW371.46 g/mol
LogP3.53
Rot. Bonds7

About N-[6-[2-[[(2R)-1-(furan-2-yl)propan-2-yl]amino]-2-oxoethyl]-1,3-benzothiazol-2-yl]propanamide

N-[6-[2-[[(2R)-1-(furan-2-yl)propan-2-yl]amino]-2-oxoethyl]-1,3-benzothiazol-2-yl]propanamide (PubChem CID 92866148) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[6-[2-[[(2R)-1-(furan-2-yl)propan-2-yl]amino]-2-oxoethyl]-1,3-benzothiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[6-[2-[[(2R)-1-(furan-2-yl)propan-2-yl]amino]-2-oxoethyl]-1,3-benzothiazol-2-yl]propanamide
PubChem CID92866148
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-[6-[2-[[(2R)-1-(furan-2-yl)propan-2-yl]amino]-2-oxoethyl]-1,3-benzothiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc2ccc(CC(=O)N[C@H](C)Cc3ccco3)cc2s1
InChIInChI=1S/C19H21N3O3S/c1-3-17(23)22-19-21-15-7-6-13(10-16(15)26-19)11-18(24)20-12(2)9-14-5-4-8-25-14/h4-8,10,12H,3,9,11H2,1-2H3,(H,20,24)(H,21,22,23)/t12-/m1/s1
InChIKeyVWZGLDSXLQTMBE-GFCCVEGCSA-N
XLogP3.53
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(propanoylamino)-1,3-benzothiazol-6-yl]acetic acid
CID 29247510
2-[(2-chloroacetyl)amino]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(furan-2-yl)propanamide
CID 11611194
6-chloro-N-[1-(furan-2-yl)propan-2-yl]-1,3-benzothiazol-2-amine
CID 79525693
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
N-(3-methylbutyl)-3-[2-(propanoylamino)-1,3-benzothiazol-6-yl]propanamide
CID 46289588
2-[2-(2-methylpropanoylamino)-1,3-benzothiazol-6-yl]acetic acid
CID 29247596
N-(6-ethyl-1,3-benzothiazol-2-yl)butanamide
CID 2410170
N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide
CID 7615110
N-[6-[2-oxo-2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]-1,3-benzothiazol-2-yl]butanamide
CID 46289872
N-[(4-ethylphenyl)methyl]-3-[2-(propanoylamino)-1,3-benzothiazol-6-yl]propanamide
CID 46289626
N-[3-[(6-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide
CID 2555545
2-(3,4-dimethoxyphenyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide
CID 8873943

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-[[(2R)-1-(furan-2-yl)propan-2-yl]amino]-2-oxoethyl]-1,3-benzothiazol-2-yl]propanamide?
The IUPAC name of N-[6-[2-[[(2R)-1-(furan-2-yl)propan-2-yl]amino]-2-oxoethyl]-1,3-benzothiazol-2-yl]propanamide (CID 92866148) is N-[6-[2-[[(2R)-1-(furan-2-yl)propan-2-yl]amino]-2-oxoethyl]-1,3-benzothiazol-2-yl]propanamide.
What is the SMILES notation for N-[6-[2-[[(2R)-1-(furan-2-yl)propan-2-yl]amino]-2-oxoethyl]-1,3-benzothiazol-2-yl]propanamide?
The canonical SMILES for N-[6-[2-[[(2R)-1-(furan-2-yl)propan-2-yl]amino]-2-oxoethyl]-1,3-benzothiazol-2-yl]propanamide is CCC(=O)Nc1nc2ccc(CC(=O)N[C@H](C)Cc3ccco3)cc2s1.
What is the InChIKey of N-[6-[2-[[(2R)-1-(furan-2-yl)propan-2-yl]amino]-2-oxoethyl]-1,3-benzothiazol-2-yl]propanamide?
The InChIKey is VWZGLDSXLQTMBE-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-3-17(23)22-19-21-15-7-6-13(10-16(15)26-19)11-18(24)20-12(2)9-14-5-4-8-25-14/h4-8,10,12H,3,9,11H2,1-2H3,(H,20,24)(H,21,22,23)/t12-/m1/s1.
What are the key properties of N-[6-[2-[[(2R)-1-(furan-2-yl)propan-2-yl]amino]-2-oxoethyl]-1,3-benzothiazol-2-yl]propanamide?
N-[6-[2-[[(2R)-1-(furan-2-yl)propan-2-yl]amino]-2-oxoethyl]-1,3-benzothiazol-2-yl]propanamide has a molecular weight of 371.46 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-[[(2R)-1-(furan-2-yl)propan-2-yl]amino]-2-oxoethyl]-1,3-benzothiazol-2-yl]propanamide is sourced from PubChem (CID 92866148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).