methyl (2S)-3-(1-methylimidazol-4-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoate

C17H25N5O3S — CID 59721315

IUPACmethyl (2S)-3-(1-methylimidazol-4-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoate
SMILESCOC(=O)[C@H](Cc1cn(C)cn1)NC(=O)N(C)Cc1csc(C(C)C)n1
InChIInChI=1S/C17H25N5O3S/c1-11(2)15-19-13(9-26-15)8-22(4)17(24)20-14(16(23)25-5)6-12-7-21(3)10-18-12/h7,9-11,14H,6,8H2,1-5H3,(H,20,24)/t14-/m0/s1
InChIKeyUCVYPGWCHCHAMI-AWEZNQCLSA-N
MW379.49 g/mol
LogP1.93
Rot. Bonds7

About methyl (2S)-3-(1-methylimidazol-4-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoate

methyl (2S)-3-(1-methylimidazol-4-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoate (PubChem CID 59721315) has the molecular formula C17H25N5O3S and a molecular weight of 379.49 g/mol. Its IUPAC name is methyl (2S)-3-(1-methylimidazol-4-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-3-(1-methylimidazol-4-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoate
PubChem CID59721315
Molecular FormulaC17H25N5O3S
Molecular Weight379.49 g/mol
Exact Mass379.17
IUPAC Namemethyl (2S)-3-(1-methylimidazol-4-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoate
SMILESCOC(=O)[C@H](Cc1cn(C)cn1)NC(=O)N(C)Cc1csc(C(C)C)n1
InChIInChI=1S/C17H25N5O3S/c1-11(2)15-19-13(9-26-15)8-22(4)17(24)20-14(16(23)25-5)6-12-7-21(3)10-18-12/h7,9-11,14H,6,8H2,1-5H3,(H,20,24)/t14-/m0/s1
InChIKeyUCVYPGWCHCHAMI-AWEZNQCLSA-N
XLogP1.93
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl (2S)-3-(1-methylimidazol-4-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-(1-methylimidazol-4-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoate?
The IUPAC name of methyl (2S)-3-(1-methylimidazol-4-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoate (CID 59721315) is methyl (2S)-3-(1-methylimidazol-4-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoate.
What is the SMILES notation for methyl (2S)-3-(1-methylimidazol-4-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoate?
The canonical SMILES for methyl (2S)-3-(1-methylimidazol-4-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoate is COC(=O)[C@H](Cc1cn(C)cn1)NC(=O)N(C)Cc1csc(C(C)C)n1.
What is the InChIKey of methyl (2S)-3-(1-methylimidazol-4-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoate?
The InChIKey is UCVYPGWCHCHAMI-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N5O3S/c1-11(2)15-19-13(9-26-15)8-22(4)17(24)20-14(16(23)25-5)6-12-7-21(3)10-18-12/h7,9-11,14H,6,8H2,1-5H3,(H,20,24)/t14-/m0/s1.
What are the key properties of methyl (2S)-3-(1-methylimidazol-4-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoate?
methyl (2S)-3-(1-methylimidazol-4-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoate has a molecular weight of 379.49 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-(1-methylimidazol-4-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoate is sourced from PubChem (CID 59721315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).