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

C14H23N3O2S — CID 95759807

IUPAC1-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-3-[[(2R)-oxolan-2-yl]methyl]urea
SMILESCc1nc(C)c([C@H](C)N(C)C(=O)NC[C@H]2CCCO2)s1
InChIInChI=1S/C14H23N3O2S/c1-9-13(20-11(3)16-9)10(2)17(4)14(18)15-8-12-6-5-7-19-12/h10,12H,5-8H2,1-4H3,(H,15,18)/t10-,12+/m0/s1
InChIKeySMHOOZABOPQPEZ-CMPLNLGQSA-N
MW297.42 g/mol
LogP2.64
Rot. Bonds4

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

1-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-3-[[(2R)-oxolan-2-yl]methyl]urea (PubChem CID 95759807) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-3-[[(2R)-oxolan-2-yl]methyl]urea.

Molecular Properties

Compound Name1-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-3-[[(2R)-oxolan-2-yl]methyl]urea
PubChem CID95759807
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name1-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-3-[[(2R)-oxolan-2-yl]methyl]urea
SMILESCc1nc(C)c([C@H](C)N(C)C(=O)NC[C@H]2CCCO2)s1
InChIInChI=1S/C14H23N3O2S/c1-9-13(20-11(3)16-9)10(2)17(4)14(18)15-8-12-6-5-7-19-12/h10,12H,5-8H2,1-4H3,(H,15,18)/t10-,12+/m0/s1
InChIKeySMHOOZABOPQPEZ-CMPLNLGQSA-N
XLogP2.64
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-2-[[(2S)-oxolan-2-yl]methylamino]acetamide
CID 124693977
1-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 97261349
1-methyl-1-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-3-[(2-prop-1-en-2-yloxolan-3-yl)methyl]urea
CID 136539636
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea
CID 86896109
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
2,4-dimethyl-N-(3-methylphenyl)-N-[(1R)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 25315140
N-(2,5-dimethylphenyl)-2,4-dimethyl-N-[(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 25315115
[(2S)-oxolan-2-yl]methylcarbamic acid
CID 69040354
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-(oxolan-2-ylmethyl)propanamide
CID 71867396
2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-ethyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111772237
2-(4-bromo-3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 19533299
4-methyl-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,3-thiazole-5-carboxylic acid
CID 9154389

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-3-[[(2R)-oxolan-2-yl]methyl]urea?
The IUPAC name of 1-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-3-[[(2R)-oxolan-2-yl]methyl]urea (CID 95759807) is 1-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-3-[[(2R)-oxolan-2-yl]methyl]urea.
What is the SMILES notation for 1-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-3-[[(2R)-oxolan-2-yl]methyl]urea?
The canonical SMILES for 1-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-3-[[(2R)-oxolan-2-yl]methyl]urea is Cc1nc(C)c([C@H](C)N(C)C(=O)NC[C@H]2CCCO2)s1.
What is the InChIKey of 1-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-3-[[(2R)-oxolan-2-yl]methyl]urea?
The InChIKey is SMHOOZABOPQPEZ-CMPLNLGQSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-9-13(20-11(3)16-9)10(2)17(4)14(18)15-8-12-6-5-7-19-12/h10,12H,5-8H2,1-4H3,(H,15,18)/t10-,12+/m0/s1.
What are the key properties of 1-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-3-[[(2R)-oxolan-2-yl]methyl]urea?
1-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-3-[[(2R)-oxolan-2-yl]methyl]urea has a molecular weight of 297.42 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-3-[[(2R)-oxolan-2-yl]methyl]urea is sourced from PubChem (CID 95759807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).