1-(1,3-benzothiazol-6-yl)-3-[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]urea

C19H20N6O2S — CID 154756842

IUPAC1-(1,3-benzothiazol-6-yl)-3-[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]urea
SMILESCn1nccc1[C@H]1[C@H](NC(=O)Nc2ccc3ncsc3c2)CC(=O)N1C1CC1
InChIInChI=1S/C19H20N6O2S/c1-24-15(6-7-21-24)18-14(9-17(26)25(18)12-3-4-12)23-19(27)22-11-2-5-13-16(8-11)28-10-20-13/h2,5-8,10,12,14,18H,3-4,9H2,1H3,(H2,22,23,27)/t14-,18-/m1/s1
InChIKeyREKOBBNNWNWHBB-RDTXWAMCSA-N
MW396.48 g/mol
LogP2.66
Rot. Bonds4

About 1-(1,3-benzothiazol-6-yl)-3-[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]urea

1-(1,3-benzothiazol-6-yl)-3-[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]urea (PubChem CID 154756842) has the molecular formula C19H20N6O2S and a molecular weight of 396.48 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-6-yl)-3-[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(1,3-benzothiazol-6-yl)-3-[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]urea
PubChem CID154756842
Molecular FormulaC19H20N6O2S
Molecular Weight396.48 g/mol
Exact Mass396.14
IUPAC Name1-(1,3-benzothiazol-6-yl)-3-[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]urea
SMILESCn1nccc1[C@H]1[C@H](NC(=O)Nc2ccc3ncsc3c2)CC(=O)N1C1CC1
InChIInChI=1S/C19H20N6O2S/c1-24-15(6-7-21-24)18-14(9-17(26)25(18)12-3-4-12)23-19(27)22-11-2-5-13-16(8-11)28-10-20-13/h2,5-8,10,12,14,18H,3-4,9H2,1H3,(H2,22,23,27)/t14-,18-/m1/s1
InChIKeyREKOBBNNWNWHBB-RDTXWAMCSA-N
XLogP2.66
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(1,3-benzothiazol-6-yl)-3-[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,3-benzothiazol-6-yl)-3-cyclopentylurea
CID 103616431
1-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-3-phenylurea
CID 126804581
1-(1,3-benzothiazol-6-yl)-3-(4-methoxy-1-propan-2-ylpyrrolidin-3-yl)urea
CID 156607542
(4R,5R)-1-cyclopropyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
CID 128987605
N-[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-3-hydroxy-3-methylbutanamide
CID 128971174
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzothiazol-6-amine
CID 107093956
2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 83634070
methyl (2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidine-3-carboxylate
CID 124709192
N-(1,3-benzothiazol-6-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 107805814
N-(1,3-benzothiazol-6-yl)oxolane-2-carboxamide
CID 24865983
N-(1,3-benzothiazol-6-yl)-4-(methylamino)oxolane-3-carboxamide
CID 107805191
4-cyano-1-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyrrole-2-carboxamide
CID 154756701

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-6-yl)-3-[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1-(1,3-benzothiazol-6-yl)-3-[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]urea (CID 154756842) is 1-(1,3-benzothiazol-6-yl)-3-[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(1,3-benzothiazol-6-yl)-3-[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-(1,3-benzothiazol-6-yl)-3-[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]urea is Cn1nccc1[C@H]1[C@H](NC(=O)Nc2ccc3ncsc3c2)CC(=O)N1C1CC1.
What is the InChIKey of 1-(1,3-benzothiazol-6-yl)-3-[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]urea?
The InChIKey is REKOBBNNWNWHBB-RDTXWAMCSA-N. The full InChI is InChI=1S/C19H20N6O2S/c1-24-15(6-7-21-24)18-14(9-17(26)25(18)12-3-4-12)23-19(27)22-11-2-5-13-16(8-11)28-10-20-13/h2,5-8,10,12,14,18H,3-4,9H2,1H3,(H2,22,23,27)/t14-,18-/m1/s1.
What are the key properties of 1-(1,3-benzothiazol-6-yl)-3-[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]urea?
1-(1,3-benzothiazol-6-yl)-3-[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]urea has a molecular weight of 396.48 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-6-yl)-3-[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 154756842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).