methyl 2-[3-methyl-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2,4-triazol-1-yl]-1,3-thiazole-5-carboxylate

C15H21N5O4S — CID 164579986

IUPACmethyl 2-[3-methyl-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2,4-triazol-1-yl]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(-n2nc(C)nc2[C@H](C)NC(=O)OC(C)(C)C)s1
InChIInChI=1S/C15H21N5O4S/c1-8(17-14(22)24-15(3,4)5)11-18-9(2)19-20(11)13-16-7-10(25-13)12(21)23-6/h7-8H,1-6H3,(H,17,22)/t8-/m0/s1
InChIKeyLOPWOERMRLDKPD-QMMMGPOBSA-N
MW367.43 g/mol
LogP2.40
Rot. Bonds4

About methyl 2-[3-methyl-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2,4-triazol-1-yl]-1,3-thiazole-5-carboxylate

methyl 2-[3-methyl-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2,4-triazol-1-yl]-1,3-thiazole-5-carboxylate (PubChem CID 164579986) has the molecular formula C15H21N5O4S and a molecular weight of 367.43 g/mol. Its IUPAC name is methyl 2-[3-methyl-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2,4-triazol-1-yl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[3-methyl-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2,4-triazol-1-yl]-1,3-thiazole-5-carboxylate
PubChem CID164579986
Molecular FormulaC15H21N5O4S
Molecular Weight367.43 g/mol
Exact Mass367.13
IUPAC Namemethyl 2-[3-methyl-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2,4-triazol-1-yl]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(-n2nc(C)nc2[C@H](C)NC(=O)OC(C)(C)C)s1
InChIInChI=1S/C15H21N5O4S/c1-8(17-14(22)24-15(3,4)5)11-18-9(2)19-20(11)13-16-7-10(25-13)12(21)23-6/h7-8H,1-6H3,(H,17,22)/t8-/m0/s1
InChIKeyLOPWOERMRLDKPD-QMMMGPOBSA-N
XLogP2.40
TPSA108.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 2-[3-methyl-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2,4-triazol-1-yl]-1,3-thiazole-5-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-5-carboxylic acid
CID 124567722
tert-butyl N-[(1R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]carbamate
CID 134338437
tert-butyl N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamate
CID 56770615
tert-butyl N-[(1S)-1-(6-bromo-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)ethyl]carbamate
CID 90183375
tert-butyl N-[(1S)-1-(3-methylimidazol-4-yl)ethyl]carbamate
CID 114986188
tert-butyl N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]carbamate
CID 103947091
tert-butyl N-[(1S)-1-[2-(5-carbamoylpyrazin-2-yl)-5-cyclopropyl-1,2,4-triazol-3-yl]ethyl]carbamate
CID 171571971
tert-butyl N-[(1R)-1-(3-ethylimidazol-4-yl)ethyl]carbamate
CID 114986134
methyl 2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-5-phenyl-1,3-thiazole-4-carboxylate
CID 101222857
methyl 2-[3-(diethylamino)pyrrolidin-1-yl]-1,3-thiazole-5-carboxylate
CID 80571323
ethyl 5-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylate
CID 52911130
tert-butyl N-[(1R)-2-methyl-1-(5-propanoyl-1,3-thiazol-2-yl)propyl]carbamate
CID 143290632

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-methyl-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2,4-triazol-1-yl]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[3-methyl-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2,4-triazol-1-yl]-1,3-thiazole-5-carboxylate (CID 164579986) is methyl 2-[3-methyl-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2,4-triazol-1-yl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[3-methyl-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2,4-triazol-1-yl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[3-methyl-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2,4-triazol-1-yl]-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(-n2nc(C)nc2[C@H](C)NC(=O)OC(C)(C)C)s1.
What is the InChIKey of methyl 2-[3-methyl-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2,4-triazol-1-yl]-1,3-thiazole-5-carboxylate?
The InChIKey is LOPWOERMRLDKPD-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H21N5O4S/c1-8(17-14(22)24-15(3,4)5)11-18-9(2)19-20(11)13-16-7-10(25-13)12(21)23-6/h7-8H,1-6H3,(H,17,22)/t8-/m0/s1.
What are the key properties of methyl 2-[3-methyl-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2,4-triazol-1-yl]-1,3-thiazole-5-carboxylate?
methyl 2-[3-methyl-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2,4-triazol-1-yl]-1,3-thiazole-5-carboxylate has a molecular weight of 367.43 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-methyl-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2,4-triazol-1-yl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 164579986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).