tert-butyl N-[3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)amino]-1-oxopropan-2-yl]carbamate

C12H19N3O4S — CID 174292799

IUPACtert-butyl N-[3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)amino]-1-oxopropan-2-yl]carbamate
SMILESCc1nc(NC(=O)C(CO)NC(=O)OC(C)(C)C)cs1
InChIInChI=1S/C12H19N3O4S/c1-7-13-9(6-20-7)15-10(17)8(5-16)14-11(18)19-12(2,3)4/h6,8,16H,5H2,1-4H3,(H,14,18)(H,15,17)
InChIKeyBJTIBOBQOFEIEI-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.28
Rot. Bonds4

About tert-butyl N-[3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)amino]-1-oxopropan-2-yl]carbamate

tert-butyl N-[3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)amino]-1-oxopropan-2-yl]carbamate (PubChem CID 174292799) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is tert-butyl N-[3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)amino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)amino]-1-oxopropan-2-yl]carbamate
PubChem CID174292799
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Nametert-butyl N-[3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)amino]-1-oxopropan-2-yl]carbamate
SMILESCc1nc(NC(=O)C(CO)NC(=O)OC(C)(C)C)cs1
InChIInChI=1S/C12H19N3O4S/c1-7-13-9(6-20-7)15-10(17)8(5-16)14-11(18)19-12(2,3)4/h6,8,16H,5H2,1-4H3,(H,14,18)(H,15,17)
InChIKeyBJTIBOBQOFEIEI-UHFFFAOYSA-N
XLogP1.28
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)amino]-1-oxopropan-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(1R)-2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamate
CID 125181056
tert-butyl N-[(2R)-3-hydroxy-1-(hydroxyamino)-1-oxopropan-2-yl]carbamate
CID 87558504
tert-butyl N-[(1S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamate
CID 97184367
tert-butyl N-[3-hydroxy-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]carbamate
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tert-butyl N-[4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]butan-2-yl]carbamate
CID 103901675
tert-butyl N-[(2S)-1-(2-aminoethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 10800508
tert-butyl N-[3-hydroxy-1-(3-methoxyanilino)-1-oxopropan-2-yl]carbamate
CID 22501705
tert-butyl N-[(2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)anilino]-1-oxopropan-2-yl]carbamate
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tert-butyl N-[1-[(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 108763044
ethyl 2-[2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 129010835
tert-butyl N-[3-(2-methyl-1,3-thiazol-4-yl)-3-oxopropyl]carbamate
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tert-butyl N-[1-(1,5-dimethylpyrazol-3-yl)-2-hydroxyethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)amino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)amino]-1-oxopropan-2-yl]carbamate (CID 174292799) is tert-butyl N-[3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)amino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)amino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)amino]-1-oxopropan-2-yl]carbamate is Cc1nc(NC(=O)C(CO)NC(=O)OC(C)(C)C)cs1.
What is the InChIKey of tert-butyl N-[3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)amino]-1-oxopropan-2-yl]carbamate?
The InChIKey is BJTIBOBQOFEIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-7-13-9(6-20-7)15-10(17)8(5-16)14-11(18)19-12(2,3)4/h6,8,16H,5H2,1-4H3,(H,14,18)(H,15,17).
What are the key properties of tert-butyl N-[3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)amino]-1-oxopropan-2-yl]carbamate?
tert-butyl N-[3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)amino]-1-oxopropan-2-yl]carbamate has a molecular weight of 301.37 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)amino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 174292799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).