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Tert-butyl N-[(1R,3R)-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-hydroxy-4-methylpentan-3-yl]-N-methylcarbamate

C18H32N2O3S — CID 158913107

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACtert-butyl N-[(1R,3R)-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-hydroxy-4-methylpentan-3-yl]-N-methylcarbamate
SMILESCCc1nc([C@H](O)C[C@H](C(C)C)N(C)C(=O)OC(C)(C)C)sc1C
InChIInChI=1S/C18H32N2O3S/c1-9-13-12(4)24-16(19-13)15(21)10-14(11(2)3)20(8)17(22)23-18(5,6)7/h11,14-15,21H,9-10H2,1-8H3/t14-,15-/m1/s1
InChIKeyHPWYBPCRPKSQLP-HUUCEWRRSA-N
MW356.53 g/mol
LogP4.33
Rot. Bonds6

About Tert-butyl N-[(1R,3R)-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-hydroxy-4-methylpentan-3-yl]-N-methylcarbamate

Tert-butyl N-[(1R,3R)-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-hydroxy-4-methylpentan-3-yl]-N-methylcarbamate (PubChem CID 158913107) has the molecular formula C18H32N2O3S and a molecular weight of 356.53 g/mol. Its IUPAC name is tert-butyl N-[(1R,3R)-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-hydroxy-4-methylpentan-3-yl]-N-methylcarbamate.

Molecular Properties

Compound NameTert-butyl N-[(1R,3R)-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-hydroxy-4-methylpentan-3-yl]-N-methylcarbamate
PubChem CID158913107
Molecular FormulaC18H32N2O3S
Molecular Weight356.53 g/mol
Exact Mass356.21
IUPAC Nametert-butyl N-[(1R,3R)-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-hydroxy-4-methylpentan-3-yl]-N-methylcarbamate
SMILESCCc1nc([C@H](O)C[C@H](C(C)C)N(C)C(=O)OC(C)(C)C)sc1C
InChIInChI=1S/C18H32N2O3S/c1-9-13-12(4)24-16(19-13)15(21)10-14(11(2)3)20(8)17(22)23-18(5,6)7/h11,14-15,21H,9-10H2,1-8H3/t14-,15-/m1/s1
InChIKeyHPWYBPCRPKSQLP-HUUCEWRRSA-N
XLogP4.33
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.53
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of Tert-butyl N-[(1R,3R)-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-hydroxy-4-methylpentan-3-yl]-N-methylcarbamate?
The IUPAC name of Tert-butyl N-[(1R,3R)-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-hydroxy-4-methylpentan-3-yl]-N-methylcarbamate (CID 158913107) is tert-butyl N-[(1R,3R)-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-hydroxy-4-methylpentan-3-yl]-N-methylcarbamate.
What is the SMILES notation for Tert-butyl N-[(1R,3R)-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-hydroxy-4-methylpentan-3-yl]-N-methylcarbamate?
The canonical SMILES for Tert-butyl N-[(1R,3R)-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-hydroxy-4-methylpentan-3-yl]-N-methylcarbamate is CCc1nc([C@H](O)C[C@H](C(C)C)N(C)C(=O)OC(C)(C)C)sc1C.
What is the InChIKey of Tert-butyl N-[(1R,3R)-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-hydroxy-4-methylpentan-3-yl]-N-methylcarbamate?
The InChIKey is HPWYBPCRPKSQLP-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H32N2O3S/c1-9-13-12(4)24-16(19-13)15(21)10-14(11(2)3)20(8)17(22)23-18(5,6)7/h11,14-15,21H,9-10H2,1-8H3/t14-,15-/m1/s1.
What are the key properties of Tert-butyl N-[(1R,3R)-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-hydroxy-4-methylpentan-3-yl]-N-methylcarbamate?
Tert-butyl N-[(1R,3R)-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-hydroxy-4-methylpentan-3-yl]-N-methylcarbamate has a molecular weight of 356.53 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Tert-butyl N-[(1R,3R)-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-hydroxy-4-methylpentan-3-yl]-N-methylcarbamate is sourced from PubChem (CID 158913107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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