1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[4-[[(2S)-oxan-2-yl]methoxy]phenyl]urea

C18H23N3O3S — CID 97438213

IUPAC1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[4-[[(2S)-oxan-2-yl]methoxy]phenyl]urea
SMILESCc1nc(CNC(=O)Nc2ccc(OC[C@@H]3CCCCO3)cc2)cs1
InChIInChI=1S/C18H23N3O3S/c1-13-20-15(12-25-13)10-19-18(22)21-14-5-7-16(8-6-14)24-11-17-4-2-3-9-23-17/h5-8,12,17H,2-4,9-11H2,1H3,(H2,19,21,22)/t17-/m0/s1
InChIKeyQOMLPVYPCNRZBY-KRWDZBQOSA-N
MW361.47 g/mol
LogP3.72
Rot. Bonds6

About 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[4-[[(2S)-oxan-2-yl]methoxy]phenyl]urea

1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[4-[[(2S)-oxan-2-yl]methoxy]phenyl]urea (PubChem CID 97438213) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[4-[[(2S)-oxan-2-yl]methoxy]phenyl]urea.

Molecular Properties

Compound Name1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[4-[[(2S)-oxan-2-yl]methoxy]phenyl]urea
PubChem CID97438213
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[4-[[(2S)-oxan-2-yl]methoxy]phenyl]urea
SMILESCc1nc(CNC(=O)Nc2ccc(OC[C@@H]3CCCCO3)cc2)cs1
InChIInChI=1S/C18H23N3O3S/c1-13-20-15(12-25-13)10-19-18(22)21-14-5-7-16(8-6-14)24-11-17-4-2-3-9-23-17/h5-8,12,17H,2-4,9-11H2,1H3,(H2,19,21,22)/t17-/m0/s1
InChIKeyQOMLPVYPCNRZBY-KRWDZBQOSA-N
XLogP3.72
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[4-[[(2R)-oxan-2-yl]methoxy]phenyl]urea
CID 97438214
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
2-methylsulfanyl-N-[4-(oxan-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 131898305
1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-[4-(oxolan-2-ylmethoxy)phenyl]urea
CID 118790558
1-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 97444546
3-[[[4-(oxolan-2-ylmethoxy)phenyl]carbamoylamino]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 118768775
1-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 97435833
1-[(2-methyl-3H-benzimidazol-5-yl)methyl]-3-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 97454274
2-(aminomethyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119712742
1-[4-(oxan-2-ylmethoxy)phenyl]-3-[2-(2-oxopiperidin-1-yl)ethyl]urea
CID 118783157
1-[3-(1-methylpyrazol-4-yl)propyl]-3-[4-[[(2S)-oxan-2-yl]methoxy]phenyl]urea
CID 125177372
1-[4-[[(2S)-oxan-2-yl]methoxy]phenyl]-3-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)urea
CID 97456754

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[4-[[(2S)-oxan-2-yl]methoxy]phenyl]urea?
The IUPAC name of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[4-[[(2S)-oxan-2-yl]methoxy]phenyl]urea (CID 97438213) is 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[4-[[(2S)-oxan-2-yl]methoxy]phenyl]urea.
What is the SMILES notation for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[4-[[(2S)-oxan-2-yl]methoxy]phenyl]urea?
The canonical SMILES for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[4-[[(2S)-oxan-2-yl]methoxy]phenyl]urea is Cc1nc(CNC(=O)Nc2ccc(OC[C@@H]3CCCCO3)cc2)cs1.
What is the InChIKey of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[4-[[(2S)-oxan-2-yl]methoxy]phenyl]urea?
The InChIKey is QOMLPVYPCNRZBY-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-13-20-15(12-25-13)10-19-18(22)21-14-5-7-16(8-6-14)24-11-17-4-2-3-9-23-17/h5-8,12,17H,2-4,9-11H2,1H3,(H2,19,21,22)/t17-/m0/s1.
What are the key properties of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[4-[[(2S)-oxan-2-yl]methoxy]phenyl]urea?
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[4-[[(2S)-oxan-2-yl]methoxy]phenyl]urea has a molecular weight of 361.47 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[4-[[(2S)-oxan-2-yl]methoxy]phenyl]urea is sourced from PubChem (CID 97438213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).