1-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea

C15H23N5OS — CID 95762594

IUPAC1-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
SMILESCC[C@H](NC(=O)N[C@@H](C)c1cn(C)nc1C)c1nc(C)cs1
InChIInChI=1S/C15H23N5OS/c1-6-13(14-16-9(2)8-22-14)18-15(21)17-10(3)12-7-20(5)19-11(12)4/h7-8,10,13H,6H2,1-5H3,(H2,17,18,21)/t10-,13-/m0/s1
InChIKeyYPLPAPFRYDKQEF-GWCFXTLKSA-N
MW321.45 g/mol
LogP3.00
Rot. Bonds5

About 1-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea

1-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea (PubChem CID 95762594) has the molecular formula C15H23N5OS and a molecular weight of 321.45 g/mol. Its IUPAC name is 1-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea.

Molecular Properties

Compound Name1-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
PubChem CID95762594
Molecular FormulaC15H23N5OS
Molecular Weight321.45 g/mol
Exact Mass321.16
IUPAC Name1-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
SMILESCC[C@H](NC(=O)N[C@@H](C)c1cn(C)nc1C)c1nc(C)cs1
InChIInChI=1S/C15H23N5OS/c1-6-13(14-16-9(2)8-22-14)18-15(21)17-10(3)12-7-20(5)19-11(12)4/h7-8,10,13H,6H2,1-5H3,(H2,17,18,21)/t10-,13-/m0/s1
InChIKeyYPLPAPFRYDKQEF-GWCFXTLKSA-N
XLogP3.00
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dimethyl-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-4-carboxamide
CID 95906693
2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride
CID 119879043
(2S)-2-amino-4-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]pentanamide
CID 119879076
1-[(1-hydroxycyclopentyl)methyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 111104417
4-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzene-1,4-dicarboxamide
CID 119121653
1-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119878993
4-[1-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]-5-phenylpentanoic acid
CID 122001041
1-[(6-methyl-3-pyridinyl)methyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 95598162
(2R)-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 78995805
N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine
CID 115717784
2,2-dimethyl-4-[1-(4-methyl-1,3-thiazol-2-yl)propylamino]-4-oxobutanoic acid
CID 119133807
(1S)-2,2-dichloro-1-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide
CID 95334068

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
The IUPAC name of 1-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea (CID 95762594) is 1-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea.
What is the SMILES notation for 1-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
The canonical SMILES for 1-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea is CC[C@H](NC(=O)N[C@@H](C)c1cn(C)nc1C)c1nc(C)cs1.
What is the InChIKey of 1-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
The InChIKey is YPLPAPFRYDKQEF-GWCFXTLKSA-N. The full InChI is InChI=1S/C15H23N5OS/c1-6-13(14-16-9(2)8-22-14)18-15(21)17-10(3)12-7-20(5)19-11(12)4/h7-8,10,13H,6H2,1-5H3,(H2,17,18,21)/t10-,13-/m0/s1.
What are the key properties of 1-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
1-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea has a molecular weight of 321.45 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea is sourced from PubChem (CID 95762594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).