1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea

C18H23N3O3S — CID 52523294

IUPAC1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea
SMILESCc1ncc(CN(C)C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)s1
InChIInChI=1S/C18H23N3O3S/c1-13-19-10-17(25-13)11-21(2)18(22)20-14-5-7-15(8-6-14)24-12-16-4-3-9-23-16/h5-8,10,16H,3-4,9,11-12H2,1-2H3,(H,20,22)/t16-/m1/s1
InChIKeyRUQZKJKKEYZBAX-MRXNPFEDSA-N
MW361.47 g/mol
LogP3.67
Rot. Bonds6

About 1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea

1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea (PubChem CID 52523294) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea.

Molecular Properties

Compound Name1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea
PubChem CID52523294
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea
SMILESCc1ncc(CN(C)C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)s1
InChIInChI=1S/C18H23N3O3S/c1-13-19-10-17(25-13)11-21(2)18(22)20-14-5-7-15(8-6-14)24-12-16-4-3-9-23-16/h5-8,10,16H,3-4,9,11-12H2,1-2H3,(H,20,22)/t16-/m1/s1
InChIKeyRUQZKJKKEYZBAX-MRXNPFEDSA-N
XLogP3.67
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 86825645
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
1-methyl-3-[4-(oxan-2-ylmethoxy)phenyl]-1-[(3-propyl-1H-pyrazol-5-yl)methyl]urea
CID 72891734
4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 4957909
2-(3,5-dimethylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 4957867
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
N-[6-(dimethylamino)-3-pyridinyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 42932973
N-[4-(oxolan-2-ylmethoxy)phenyl]cyclobutanecarboxamide
CID 47251152
2-(tert-butylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54813717
2-methyl-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 9295083
2-(cyclopropylmethylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119712735
N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]pyridine-4-carboxamide
CID 7447165

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea?
The IUPAC name of 1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea (CID 52523294) is 1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea.
What is the SMILES notation for 1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea?
The canonical SMILES for 1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea is Cc1ncc(CN(C)C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)s1.
What is the InChIKey of 1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea?
The InChIKey is RUQZKJKKEYZBAX-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-13-19-10-17(25-13)11-21(2)18(22)20-14-5-7-15(8-6-14)24-12-16-4-3-9-23-16/h5-8,10,16H,3-4,9,11-12H2,1-2H3,(H,20,22)/t16-/m1/s1.
What are the key properties of 1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea?
1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea has a molecular weight of 361.47 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea is sourced from PubChem (CID 52523294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).