1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]urea

C15H22N4O2S — CID 75500635

IUPAC1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]urea
SMILESCCc1nc(CNC(=O)NCC2CC(=O)N(C3CC3)C2)cs1
InChIInChI=1S/C15H22N4O2S/c1-2-13-18-11(9-22-13)7-17-15(21)16-6-10-5-14(20)19(8-10)12-3-4-12/h9-10,12H,2-8H2,1H3,(H2,16,17,21)
InChIKeySAGFFZFAJKPUGP-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.52
Rot. Bonds6

About 1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]urea

1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]urea (PubChem CID 75500635) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is 1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]urea
PubChem CID75500635
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Name1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]urea
SMILESCCc1nc(CNC(=O)NCC2CC(=O)N(C3CC3)C2)cs1
InChIInChI=1S/C15H22N4O2S/c1-2-13-18-11(9-22-13)7-17-15(21)16-6-10-5-14(20)19(8-10)12-3-4-12/h9-10,12H,2-8H2,1H3,(H2,16,17,21)
InChIKeySAGFFZFAJKPUGP-UHFFFAOYSA-N
XLogP1.52
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]urea with MolForge

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Related Compounds

1-cyclopropyl-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 70772226
1-cyclopropyl-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 70723259
1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[(4-methyl-3-pyridinyl)methyl]urea
CID 138010415
1-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3-(naphthalen-2-ylmethyl)urea
CID 99820423
1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]urea
CID 96521522
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]urea
CID 97059749
1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]urea
CID 56827169
1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2,4-dichlorophenyl)methyl]urea
CID 131892648
1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168669914
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111108857
2-chloro-N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-5-methyl-1,3-thiazole-4-carboxamide
CID 124741356
N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide
CID 95550589

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]urea?
The IUPAC name of 1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]urea (CID 75500635) is 1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]urea.
What is the SMILES notation for 1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]urea?
The canonical SMILES for 1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]urea is CCc1nc(CNC(=O)NCC2CC(=O)N(C3CC3)C2)cs1.
What is the InChIKey of 1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]urea?
The InChIKey is SAGFFZFAJKPUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-2-13-18-11(9-22-13)7-17-15(21)16-6-10-5-14(20)19(8-10)12-3-4-12/h9-10,12H,2-8H2,1H3,(H2,16,17,21).
What are the key properties of 1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]urea?
1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]urea has a molecular weight of 322.43 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]urea is sourced from PubChem (CID 75500635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).