1-methyl-3-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]urea

C15H23N5OS — CID 125443629

IUPAC1-methyl-3-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]urea
SMILESCC[C@@H](NC(=O)N(C)CCc1scnc1C)c1ccnn1C
InChIInChI=1S/C15H23N5OS/c1-5-12(13-6-8-17-20(13)4)18-15(21)19(3)9-7-14-11(2)16-10-22-14/h6,8,10,12H,5,7,9H2,1-4H3,(H,18,21)/t12-/m1/s1
InChIKeyPRUKVPQXROMNCU-GFCCVEGCSA-N
MW321.45 g/mol
LogP2.52
Rot. Bonds6

About 1-methyl-3-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]urea

1-methyl-3-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]urea (PubChem CID 125443629) has the molecular formula C15H23N5OS and a molecular weight of 321.45 g/mol. Its IUPAC name is 1-methyl-3-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-methyl-3-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]urea
PubChem CID125443629
Molecular FormulaC15H23N5OS
Molecular Weight321.45 g/mol
Exact Mass321.16
IUPAC Name1-methyl-3-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]urea
SMILESCC[C@@H](NC(=O)N(C)CCc1scnc1C)c1ccnn1C
InChIInChI=1S/C15H23N5OS/c1-5-12(13-6-8-17-20(13)4)18-15(21)19(3)9-7-14-11(2)16-10-22-14/h6,8,10,12H,5,7,9H2,1-4H3,(H,18,21)/t12-/m1/s1
InChIKeyPRUKVPQXROMNCU-GFCCVEGCSA-N
XLogP2.52
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-methylpyrazol-3-yl)propyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 70730398
2-(dimethylcarbamoylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide
CID 91796797
N,1-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-phenylpyrrole-2-carboxamide
CID 70748986
N-[1-(2-methylpyrazol-3-yl)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 91842330
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propanamide
CID 95202696
3-hydroxy-N-[1-(2-methylpyrazol-3-yl)propyl]pyridine-2-carboxamide
CID 91773008
2-(methylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]pyridine-4-carboxamide
CID 50968548
N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 56738833
3-[ethyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]butanoic acid
CID 55123962
1-(2-methoxyethyl)-3-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-1-(pyridin-2-ylmethyl)urea
CID 125446393
6-methyl-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-4-oxo-1H-pyridine-2-carboxamide
CID 126436244
3-methyl-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]amino]butanoic acid
CID 55260194

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]urea?
The IUPAC name of 1-methyl-3-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]urea (CID 125443629) is 1-methyl-3-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-methyl-3-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]urea?
The canonical SMILES for 1-methyl-3-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]urea is CC[C@@H](NC(=O)N(C)CCc1scnc1C)c1ccnn1C.
What is the InChIKey of 1-methyl-3-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]urea?
The InChIKey is PRUKVPQXROMNCU-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23N5OS/c1-5-12(13-6-8-17-20(13)4)18-15(21)19(3)9-7-14-11(2)16-10-22-14/h6,8,10,12H,5,7,9H2,1-4H3,(H,18,21)/t12-/m1/s1.
What are the key properties of 1-methyl-3-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]urea?
1-methyl-3-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]urea has a molecular weight of 321.45 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]urea is sourced from PubChem (CID 125443629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).