tert-butyl N-[(1R)-2-methyl-1-(5-propanoyl-1,3-thiazol-2-yl)propyl]carbamate

C15H24N2O3S — CID 143290632

IUPACtert-butyl N-[(1R)-2-methyl-1-(5-propanoyl-1,3-thiazol-2-yl)propyl]carbamate
SMILESCCC(=O)c1cnc([C@H](NC(=O)OC(C)(C)C)C(C)C)s1
InChIInChI=1S/C15H24N2O3S/c1-7-10(18)11-8-16-13(21-11)12(9(2)3)17-14(19)20-15(4,5)6/h8-9,12H,7H2,1-6H3,(H,17,19)/t12-/m1/s1
InChIKeyVCBLFMDFZJUTPK-GFCCVEGCSA-N
MW312.44 g/mol
LogP3.96
Rot. Bonds5

About tert-butyl N-[(1R)-2-methyl-1-(5-propanoyl-1,3-thiazol-2-yl)propyl]carbamate

tert-butyl N-[(1R)-2-methyl-1-(5-propanoyl-1,3-thiazol-2-yl)propyl]carbamate (PubChem CID 143290632) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is tert-butyl N-[(1R)-2-methyl-1-(5-propanoyl-1,3-thiazol-2-yl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-2-methyl-1-(5-propanoyl-1,3-thiazol-2-yl)propyl]carbamate
PubChem CID143290632
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Nametert-butyl N-[(1R)-2-methyl-1-(5-propanoyl-1,3-thiazol-2-yl)propyl]carbamate
SMILESCCC(=O)c1cnc([C@H](NC(=O)OC(C)(C)C)C(C)C)s1
InChIInChI=1S/C15H24N2O3S/c1-7-10(18)11-8-16-13(21-11)12(9(2)3)17-14(19)20-15(4,5)6/h8-9,12H,7H2,1-6H3,(H,17,19)/t12-/m1/s1
InChIKeyVCBLFMDFZJUTPK-GFCCVEGCSA-N
XLogP3.96
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-5-carboxylic acid
CID 124567722
methyl 5-methyl-2-[(1R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazole-4-carboxylate
CID 101222843
ethyl 2-[(1S)-2-methyl-1-[[2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazole-4-carbonyl]amino]propyl]-1,3-thiazole-4-carboxylate
CID 16720791
tert-butyl N-[(1S)-1-(5-formyl-1,3-oxazol-2-yl)-2-methylpropyl]carbamate
CID 24906039
tert-butyl N-[(1S)-2-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propyl]carbamate
CID 102970448
tert-butyl N-[5-(2-bromoacetyl)-1,3-thiazol-2-yl]carbamate
CID 118106608
ethyl 2-[(1S)-1-[[2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylate
CID 16719992
ethyl 2-[(1S)-1-[[2-[(1S)-1-[[2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylate
CID 16720113
tert-butyl N-[(1R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]carbamate
CID 134338437
5-methyl-2-[2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxylic acid
CID 11728648
tert-butyl N-[(3R)-2-methyl-4-oxohexan-3-yl]carbamate
CID 58418547
tert-butyl N-[1-hydroxy-1-(1,3-oxazol-2-yl)propan-2-yl]carbamate
CID 121454125

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-2-methyl-1-(5-propanoyl-1,3-thiazol-2-yl)propyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-2-methyl-1-(5-propanoyl-1,3-thiazol-2-yl)propyl]carbamate (CID 143290632) is tert-butyl N-[(1R)-2-methyl-1-(5-propanoyl-1,3-thiazol-2-yl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-2-methyl-1-(5-propanoyl-1,3-thiazol-2-yl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-2-methyl-1-(5-propanoyl-1,3-thiazol-2-yl)propyl]carbamate is CCC(=O)c1cnc([C@H](NC(=O)OC(C)(C)C)C(C)C)s1.
What is the InChIKey of tert-butyl N-[(1R)-2-methyl-1-(5-propanoyl-1,3-thiazol-2-yl)propyl]carbamate?
The InChIKey is VCBLFMDFZJUTPK-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-7-10(18)11-8-16-13(21-11)12(9(2)3)17-14(19)20-15(4,5)6/h8-9,12H,7H2,1-6H3,(H,17,19)/t12-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-2-methyl-1-(5-propanoyl-1,3-thiazol-2-yl)propyl]carbamate?
tert-butyl N-[(1R)-2-methyl-1-(5-propanoyl-1,3-thiazol-2-yl)propyl]carbamate has a molecular weight of 312.44 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-2-methyl-1-(5-propanoyl-1,3-thiazol-2-yl)propyl]carbamate is sourced from PubChem (CID 143290632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).