1-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2-methylsulfonylphenyl)urea

C15H19N3O3S2 — CID 94652921

IUPAC1-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2-methylsulfonylphenyl)urea
SMILESCc1nc(C)c([C@@H](C)NC(=O)Nc2ccccc2S(C)(=O)=O)s1
InChIInChI=1S/C15H19N3O3S2/c1-9-14(22-11(3)16-9)10(2)17-15(19)18-12-7-5-6-8-13(12)23(4,20)21/h5-8,10H,1-4H3,(H2,17,18,19)/t10-/m1/s1
InChIKeyLNQPAKFEUPTQGL-SNVBAGLBSA-N
MW353.47 g/mol
LogP3.05
Rot. Bonds4

About 1-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2-methylsulfonylphenyl)urea

1-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2-methylsulfonylphenyl)urea (PubChem CID 94652921) has the molecular formula C15H19N3O3S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2-methylsulfonylphenyl)urea.

Molecular Properties

Compound Name1-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2-methylsulfonylphenyl)urea
PubChem CID94652921
Molecular FormulaC15H19N3O3S2
Molecular Weight353.47 g/mol
Exact Mass353.09
IUPAC Name1-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2-methylsulfonylphenyl)urea
SMILESCc1nc(C)c([C@@H](C)NC(=O)Nc2ccccc2S(C)(=O)=O)s1
InChIInChI=1S/C15H19N3O3S2/c1-9-14(22-11(3)16-9)10(2)17-15(19)18-12-7-5-6-8-13(12)23(4,20)21/h5-8,10H,1-4H3,(H2,17,18,19)/t10-/m1/s1
InChIKeyLNQPAKFEUPTQGL-SNVBAGLBSA-N
XLogP3.05
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(methylamino)benzamide
CID 61376507
1-(1-hydroxypropan-2-yl)-3-(2-methylsulfonylphenyl)urea
CID 51080334
2-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]propanamide
CID 54963072
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]-2-methylbutanoic acid
CID 79801901
1-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]urea
CID 94653142
2-amino-N-(2-methylsulfonylphenyl)propanamide
CID 43424873
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 110470867
1-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]urea
CID 94651497
(2R)-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 103927798
(2R)-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]-3-hydroxypropanoic acid
CID 80757573
3-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-[(2-hydroxyphenyl)methyl]-1-methylurea
CID 94670347
2-tert-butyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline
CID 63751782

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2-methylsulfonylphenyl)urea?
The IUPAC name of 1-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2-methylsulfonylphenyl)urea (CID 94652921) is 1-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2-methylsulfonylphenyl)urea.
What is the SMILES notation for 1-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2-methylsulfonylphenyl)urea?
The canonical SMILES for 1-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2-methylsulfonylphenyl)urea is Cc1nc(C)c([C@@H](C)NC(=O)Nc2ccccc2S(C)(=O)=O)s1.
What is the InChIKey of 1-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2-methylsulfonylphenyl)urea?
The InChIKey is LNQPAKFEUPTQGL-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19N3O3S2/c1-9-14(22-11(3)16-9)10(2)17-15(19)18-12-7-5-6-8-13(12)23(4,20)21/h5-8,10H,1-4H3,(H2,17,18,19)/t10-/m1/s1.
What are the key properties of 1-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2-methylsulfonylphenyl)urea?
1-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2-methylsulfonylphenyl)urea has a molecular weight of 353.47 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2-methylsulfonylphenyl)urea is sourced from PubChem (CID 94652921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).