1-[(2S)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propanoyl]imidazolidin-2-one

C14H16N4O2S — CID 39975466

IUPAC1-[(2S)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propanoyl]imidazolidin-2-one
SMILESCc1nc2ccc(N[C@@H](C)C(=O)N3CCNC3=O)cc2s1
InChIInChI=1S/C14H16N4O2S/c1-8(13(19)18-6-5-15-14(18)20)16-10-3-4-11-12(7-10)21-9(2)17-11/h3-4,7-8,16H,5-6H2,1-2H3,(H,15,20)/t8-/m0/s1
InChIKeyRUUIUZDPDRXRRI-QMMMGPOBSA-N
MW304.38 g/mol
LogP1.96
Rot. Bonds3

About 1-[(2S)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propanoyl]imidazolidin-2-one

1-[(2S)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propanoyl]imidazolidin-2-one (PubChem CID 39975466) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 1-[(2S)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propanoyl]imidazolidin-2-one
PubChem CID39975466
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name1-[(2S)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propanoyl]imidazolidin-2-one
SMILESCc1nc2ccc(N[C@@H](C)C(=O)N3CCNC3=O)cc2s1
InChIInChI=1S/C14H16N4O2S/c1-8(13(19)18-6-5-15-14(18)20)16-10-3-4-11-12(7-10)21-9(2)17-11/h3-4,7-8,16H,5-6H2,1-2H3,(H,15,20)/t8-/m0/s1
InChIKeyRUUIUZDPDRXRRI-QMMMGPOBSA-N
XLogP1.96
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2S)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propanoyl]imidazolidin-2-one with MolForge

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Related Compounds

(2R)-1-(4-acetylpiperazin-1-yl)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propan-1-one
CID 36598546
N-methyl-3-[[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]amino]benzamide
CID 18097406
1-[(2S)-2-(4-chloroanilino)propanoyl]imidazolidin-2-one
CID 39975330
(2R)-N-(4-acetamidophenyl)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propanamide
CID 32736753
1-[(2S)-2-[(6-methoxy-3-pyridinyl)amino]propanoyl]imidazolidin-2-one
CID 94008955
1-[(2S)-2-(2,3-dihydro-1-benzofuran-5-ylamino)propanoyl]imidazolidin-2-one
CID 35625729
1-(2-methyl-1,3-benzothiazol-6-yl)-3-propan-2-ylurea
CID 3566433
N-(1-cyclopropylethyl)-2-methyl-1,3-benzothiazol-6-amine
CID 43682682
2-N-(2-methyl-1,3-benzothiazol-6-yl)propane-1,2-diamine
CID 103388112
2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 43702545
2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-6-amine
CID 47155576
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 47300462

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propanoyl]imidazolidin-2-one?
The IUPAC name of 1-[(2S)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propanoyl]imidazolidin-2-one (CID 39975466) is 1-[(2S)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(2S)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[(2S)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propanoyl]imidazolidin-2-one is Cc1nc2ccc(N[C@@H](C)C(=O)N3CCNC3=O)cc2s1.
What is the InChIKey of 1-[(2S)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propanoyl]imidazolidin-2-one?
The InChIKey is RUUIUZDPDRXRRI-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-8(13(19)18-6-5-15-14(18)20)16-10-3-4-11-12(7-10)21-9(2)17-11/h3-4,7-8,16H,5-6H2,1-2H3,(H,15,20)/t8-/m0/s1.
What are the key properties of 1-[(2S)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propanoyl]imidazolidin-2-one?
1-[(2S)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propanoyl]imidazolidin-2-one has a molecular weight of 304.38 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propanoyl]imidazolidin-2-one is sourced from PubChem (CID 39975466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).