N-[6-[(3,5-dimethoxyphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]propanamide

C19H20N4O4S — CID 46325764

IUPACN-[6-[(3,5-dimethoxyphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc2ccc(NC(=O)Nc3cc(OC)cc(OC)c3)cc2s1
InChIInChI=1S/C19H20N4O4S/c1-4-17(24)23-19-22-15-6-5-11(9-16(15)28-19)20-18(25)21-12-7-13(26-2)10-14(8-12)27-3/h5-10H,4H2,1-3H3,(H2,20,21,25)(H,22,23,24)
InChIKeyJEIFDBQIKUBBGX-UHFFFAOYSA-N
MW400.46 g/mol
LogP4.31
Rot. Bonds6

About N-[6-[(3,5-dimethoxyphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]propanamide

N-[6-[(3,5-dimethoxyphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]propanamide (PubChem CID 46325764) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-[6-[(3,5-dimethoxyphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[6-[(3,5-dimethoxyphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]propanamide
PubChem CID46325764
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC NameN-[6-[(3,5-dimethoxyphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc2ccc(NC(=O)Nc3cc(OC)cc(OC)c3)cc2s1
InChIInChI=1S/C19H20N4O4S/c1-4-17(24)23-19-22-15-6-5-11(9-16(15)28-19)20-18(25)21-12-7-13(26-2)10-14(8-12)27-3/h5-10H,4H2,1-3H3,(H2,20,21,25)(H,22,23,24)
InChIKeyJEIFDBQIKUBBGX-UHFFFAOYSA-N
XLogP4.31
TPSA101.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
2,6-dimethoxy-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]benzamide
CID 6457255
N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-3,5-dimethoxybenzamide
CID 3160184
N-[6-[(3-methylsulfanylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]propanamide
CID 46325771
N-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,5-dimethoxybenzamide
CID 2332353
methyl 3-[[2-(propanoylamino)-1,3-benzothiazol-5-yl]carbamoylamino]benzoate
CID 46385294
1-(6-bromo-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)urea
CID 35279656
N-[[2-[(3,5-dimethoxybenzoyl)carbamothioylamino]-1,3-benzothiazol-6-yl]carbamothioyl]-3,5-dimethoxybenzamide
CID 5215569
1-(4-methoxyphenyl)-3-(6-methylsulfanyl-1,3-benzothiazol-2-yl)urea
CID 121081181
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide
CID 51336701
N-[5-[(3,5-dimethoxyphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
CID 46385432
2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2163146

Frequently Asked Questions

What is the IUPAC name of N-[6-[(3,5-dimethoxyphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]propanamide?
The IUPAC name of N-[6-[(3,5-dimethoxyphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]propanamide (CID 46325764) is N-[6-[(3,5-dimethoxyphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]propanamide.
What is the SMILES notation for N-[6-[(3,5-dimethoxyphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]propanamide?
The canonical SMILES for N-[6-[(3,5-dimethoxyphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]propanamide is CCC(=O)Nc1nc2ccc(NC(=O)Nc3cc(OC)cc(OC)c3)cc2s1.
What is the InChIKey of N-[6-[(3,5-dimethoxyphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]propanamide?
The InChIKey is JEIFDBQIKUBBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-4-17(24)23-19-22-15-6-5-11(9-16(15)28-19)20-18(25)21-12-7-13(26-2)10-14(8-12)27-3/h5-10H,4H2,1-3H3,(H2,20,21,25)(H,22,23,24).
What are the key properties of N-[6-[(3,5-dimethoxyphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]propanamide?
N-[6-[(3,5-dimethoxyphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]propanamide has a molecular weight of 400.46 g/mol, XLogP of 4.31, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(3,5-dimethoxyphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]propanamide is sourced from PubChem (CID 46325764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).