3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea

C20H23N5OS — CID 125440679

IUPAC3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea
SMILESCN(Cc1csc(-c2ccccc2)n1)C(=O)N[C@@H](c1nccn1C)C1CC1
InChIInChI=1S/C20H23N5OS/c1-24-11-10-21-18(24)17(14-8-9-14)23-20(26)25(2)12-16-13-27-19(22-16)15-6-4-3-5-7-15/h3-7,10-11,13-14,17H,8-9,12H2,1-2H3,(H,23,26)/t17-/m1/s1
InChIKeyUSIJOCJWHQVQGN-QGZVFWFLSA-N
MW381.51 g/mol
LogP3.84
Rot. Bonds6

About 3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea

3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea (PubChem CID 125440679) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is 3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea.

Molecular Properties

Compound Name3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea
PubChem CID125440679
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC Name3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea
SMILESCN(Cc1csc(-c2ccccc2)n1)C(=O)N[C@@H](c1nccn1C)C1CC1
InChIInChI=1S/C20H23N5OS/c1-24-11-10-21-18(24)17(14-8-9-14)23-20(26)25(2)12-16-13-27-19(22-16)15-6-4-3-5-7-15/h3-7,10-11,13-14,17H,8-9,12H2,1-2H3,(H,23,26)/t17-/m1/s1
InChIKeyUSIJOCJWHQVQGN-QGZVFWFLSA-N
XLogP3.84
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea with MolForge

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Related Compounds

3-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 122568205
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-[methyl(pyridin-2-ylmethyl)amino]acetamide
CID 122565816
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-oxo-4-phenylbutanamide
CID 125176121
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 122569754
1-benzyl-3-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-1-methylurea
CID 41200260
N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]azocane-1-carboxamide
CID 125437876
4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 4171231
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propanamide
CID 125444734
1-methyl-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]urea
CID 125447930
2-amino-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 124852775
4-ethyl-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-2-carboxamide
CID 129487085
N-[3-[[cyclopropyl-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]-2-fluorobenzamide
CID 135119010

Frequently Asked Questions

What is the IUPAC name of 3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea?
The IUPAC name of 3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea (CID 125440679) is 3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea.
What is the SMILES notation for 3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea?
The canonical SMILES for 3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea is CN(Cc1csc(-c2ccccc2)n1)C(=O)N[C@@H](c1nccn1C)C1CC1.
What is the InChIKey of 3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea?
The InChIKey is USIJOCJWHQVQGN-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-24-11-10-21-18(24)17(14-8-9-14)23-20(26)25(2)12-16-13-27-19(22-16)15-6-4-3-5-7-15/h3-7,10-11,13-14,17H,8-9,12H2,1-2H3,(H,23,26)/t17-/m1/s1.
What are the key properties of 3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea?
3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea has a molecular weight of 381.51 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea is sourced from PubChem (CID 125440679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).