1-phenyl-3-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea

C14H16N4OS — CID 99875460

IUPAC1-phenyl-3-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea
SMILESO=C(Nc1ccccc1)N[C@@H]1CCN(c2nccs2)C1
InChIInChI=1S/C14H16N4OS/c19-13(16-11-4-2-1-3-5-11)17-12-6-8-18(10-12)14-15-7-9-20-14/h1-5,7,9,12H,6,8,10H2,(H2,16,17,19)/t12-/m1/s1
InChIKeyIHKGMBKFDXUVAZ-GFCCVEGCSA-N
MW288.38 g/mol
LogP2.54
Rot. Bonds3

About 1-phenyl-3-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea

1-phenyl-3-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea (PubChem CID 99875460) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 1-phenyl-3-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-phenyl-3-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea
PubChem CID99875460
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name1-phenyl-3-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea
SMILESO=C(Nc1ccccc1)N[C@@H]1CCN(c2nccs2)C1
InChIInChI=1S/C14H16N4OS/c19-13(16-11-4-2-1-3-5-11)17-12-6-8-18(10-12)14-15-7-9-20-14/h1-5,7,9,12H,6,8,10H2,(H2,16,17,19)/t12-/m1/s1
InChIKeyIHKGMBKFDXUVAZ-GFCCVEGCSA-N
XLogP2.54
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea
CID 90597446
1-propyl-3-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea
CID 121144831
2-phenoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 121144744
1-(3-chloro-4-fluorophenyl)-3-[1-(1,3-thiazol-2-yl)piperidin-3-yl]urea
CID 134359721
N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]furan-2-carboxamide
CID 121144564
N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-9H-xanthene-9-carboxamide
CID 121144632
4-chloro-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 121144583
1-(1,3-benzodioxol-5-yl)-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea
CID 90597467
N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1H-indole-3-carboxamide
CID 121144787
4-phenyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 90597412
N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]pentanamide
CID 121144562
1-(4-chlorophenyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 90621421

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea?
The IUPAC name of 1-phenyl-3-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea (CID 99875460) is 1-phenyl-3-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-phenyl-3-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea?
The canonical SMILES for 1-phenyl-3-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea is O=C(Nc1ccccc1)N[C@@H]1CCN(c2nccs2)C1.
What is the InChIKey of 1-phenyl-3-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea?
The InChIKey is IHKGMBKFDXUVAZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H16N4OS/c19-13(16-11-4-2-1-3-5-11)17-12-6-8-18(10-12)14-15-7-9-20-14/h1-5,7,9,12H,6,8,10H2,(H2,16,17,19)/t12-/m1/s1.
What are the key properties of 1-phenyl-3-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea?
1-phenyl-3-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea has a molecular weight of 288.38 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 99875460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).