1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(4-phenyl-1,3-thiazol-2-yl)urea

C19H26N4O2S — CID 55535969

IUPAC1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(4-phenyl-1,3-thiazol-2-yl)urea
SMILESCC(C)CN1CCOC(CNC(=O)Nc2nc(-c3ccccc3)cs2)C1
InChIInChI=1S/C19H26N4O2S/c1-14(2)11-23-8-9-25-16(12-23)10-20-18(24)22-19-21-17(13-26-19)15-6-4-3-5-7-15/h3-7,13-14,16H,8-12H2,1-2H3,(H2,20,21,22,24)
InChIKeyNPTSLLOVMLJWPJ-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.29
Rot. Bonds6

About 1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(4-phenyl-1,3-thiazol-2-yl)urea

1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(4-phenyl-1,3-thiazol-2-yl)urea (PubChem CID 55535969) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(4-phenyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(4-phenyl-1,3-thiazol-2-yl)urea
PubChem CID55535969
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(4-phenyl-1,3-thiazol-2-yl)urea
SMILESCC(C)CN1CCOC(CNC(=O)Nc2nc(-c3ccccc3)cs2)C1
InChIInChI=1S/C19H26N4O2S/c1-14(2)11-23-8-9-25-16(12-23)10-20-18(24)22-19-21-17(13-26-19)15-6-4-3-5-7-15/h3-7,13-14,16H,8-12H2,1-2H3,(H2,20,21,22,24)
InChIKeyNPTSLLOVMLJWPJ-UHFFFAOYSA-N
XLogP3.29
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(4-phenyl-1,3-thiazol-2-yl)urea with MolForge

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Related Compounds

1-ethyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111369670
2-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 24642445
4-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 30469024
1-(4-methylphenyl)-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea
CID 4798763
N-[4-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 55453096
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2,2-diphenylacetamide
CID 7995361
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenylsulfanylacetamide
CID 78812434
1-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 98798195
1-[(4-methoxyphenyl)methyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea
CID 42889274
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 94014996
1-[2-(2-methylphenoxy)ethyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea
CID 60547093
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(4-phenyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(4-phenyl-1,3-thiazol-2-yl)urea (CID 55535969) is 1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(4-phenyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(4-phenyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(4-phenyl-1,3-thiazol-2-yl)urea is CC(C)CN1CCOC(CNC(=O)Nc2nc(-c3ccccc3)cs2)C1.
What is the InChIKey of 1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(4-phenyl-1,3-thiazol-2-yl)urea?
The InChIKey is NPTSLLOVMLJWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-14(2)11-23-8-9-25-16(12-23)10-20-18(24)22-19-21-17(13-26-19)15-6-4-3-5-7-15/h3-7,13-14,16H,8-12H2,1-2H3,(H2,20,21,22,24).
What are the key properties of 1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(4-phenyl-1,3-thiazol-2-yl)urea?
1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(4-phenyl-1,3-thiazol-2-yl)urea has a molecular weight of 374.51 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(4-phenyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 55535969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).