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

C14H24N2O4S — CID 10947036

IUPACmethyl 2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-4,5-dihydro-1,3-thiazole-4-carboxylate
SMILESCOC(=O)C1CSC([C@@H](NC(=O)OC(C)(C)C)C(C)C)=N1
InChIInChI=1S/C14H24N2O4S/c1-8(2)10(16-13(18)20-14(3,4)5)11-15-9(7-21-11)12(17)19-6/h8-10H,7H2,1-6H3,(H,16,18)/t9?,10-/m0/s1
InChIKeyZDHNHTWVGHIRGO-AXDSSHIGSA-N
MW316.42 g/mol
LogP2.22
Rot. Bonds4

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

methyl 2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-4,5-dihydro-1,3-thiazole-4-carboxylate (PubChem CID 10947036) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is methyl 2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-4,5-dihydro-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-4,5-dihydro-1,3-thiazole-4-carboxylate
PubChem CID10947036
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Namemethyl 2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-4,5-dihydro-1,3-thiazole-4-carboxylate
SMILESCOC(=O)C1CSC([C@@H](NC(=O)OC(C)(C)C)C(C)C)=N1
InChIInChI=1S/C14H24N2O4S/c1-8(2)10(16-13(18)20-14(3,4)5)11-15-9(7-21-11)12(17)19-6/h8-10H,7H2,1-6H3,(H,16,18)/t9?,10-/m0/s1
InChIKeyZDHNHTWVGHIRGO-AXDSSHIGSA-N
XLogP2.22
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

methyl (4R)-2-[(1S,2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 10520459
tert-butyl N-[(1S)-2-methyl-1-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]propyl]carbamate
CID 102095024
2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 71055961
tert-butyl N-[2-methyl-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propyl]carbamate
CID 102970009
tert-butyl N-[1-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-2-methylpropyl]carbamate
CID 58783549
methyl 5-methyl-2-[(1R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazole-4-carboxylate
CID 101222843
tert-butyl N-[(1S)-2-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propyl]carbamate
CID 102970448
methyl (2S)-2-[[(5S)-3-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]-4-methylsulfanylbutanoate
CID 10574722
tert-butyl N-[(1S)-1-(4-ethyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)-2-methylpropyl]carbamate
CID 102970623
methyl 2-[[5-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 9125159
tert-butyl N-[(2R)-3-methylbutan-2-yl]carbamate
CID 11014358
tert-butyl N-[1-[5-chloro-4-[4-[4-[5-chloro-2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-methylpropyl]carbamate
CID 123251841

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-4,5-dihydro-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-4,5-dihydro-1,3-thiazole-4-carboxylate (CID 10947036) is methyl 2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-4,5-dihydro-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-4,5-dihydro-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-4,5-dihydro-1,3-thiazole-4-carboxylate is COC(=O)C1CSC([C@@H](NC(=O)OC(C)(C)C)C(C)C)=N1.
What is the InChIKey of methyl 2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-4,5-dihydro-1,3-thiazole-4-carboxylate?
The InChIKey is ZDHNHTWVGHIRGO-AXDSSHIGSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-8(2)10(16-13(18)20-14(3,4)5)11-15-9(7-21-11)12(17)19-6/h8-10H,7H2,1-6H3,(H,16,18)/t9?,10-/m0/s1.
What are the key properties of methyl 2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-4,5-dihydro-1,3-thiazole-4-carboxylate?
methyl 2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-4,5-dihydro-1,3-thiazole-4-carboxylate has a molecular weight of 316.42 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-4,5-dihydro-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 10947036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).