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

C12H20N2O2S — CID 10956191

IUPACtert-butyl N-[(1S)-2-methyl-1-(1,3-thiazol-2-yl)propyl]carbamate
SMILESCC(C)[C@H](NC(=O)OC(C)(C)C)c1nccs1
InChIInChI=1S/C12H20N2O2S/c1-8(2)9(10-13-6-7-17-10)14-11(15)16-12(3,4)5/h6-9H,1-5H3,(H,14,15)/t9-/m0/s1
InChIKeyCZWVRCRWMALPAS-VIFPVBQESA-N
MW256.37 g/mol
LogP3.36
Rot. Bonds3

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

tert-butyl N-[(1S)-2-methyl-1-(1,3-thiazol-2-yl)propyl]carbamate (PubChem CID 10956191) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is tert-butyl N-[(1S)-2-methyl-1-(1,3-thiazol-2-yl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-2-methyl-1-(1,3-thiazol-2-yl)propyl]carbamate
PubChem CID10956191
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Nametert-butyl N-[(1S)-2-methyl-1-(1,3-thiazol-2-yl)propyl]carbamate
SMILESCC(C)[C@H](NC(=O)OC(C)(C)C)c1nccs1
InChIInChI=1S/C12H20N2O2S/c1-8(2)9(10-13-6-7-17-10)14-11(15)16-12(3,4)5/h6-9H,1-5H3,(H,14,15)/t9-/m0/s1
InChIKeyCZWVRCRWMALPAS-VIFPVBQESA-N
XLogP3.36
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]carbamate
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ethyl 4-[[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]amino]piperidine-1-carboxylate
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tert-butyl N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)ethyl]carbamate
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(2R)-2-(methylamino)-N-[(1S)-3-methyl-1-(1,3-thiazol-2-yl)butyl]propanamide
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2,2,2-trifluoroethyl N-[1-(1,3-thiazol-2-yl)ethyl]carbamate
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2,2,2-trifluoroethyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate
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CID 104599355

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-2-methyl-1-(1,3-thiazol-2-yl)propyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-2-methyl-1-(1,3-thiazol-2-yl)propyl]carbamate (CID 10956191) is tert-butyl N-[(1S)-2-methyl-1-(1,3-thiazol-2-yl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-2-methyl-1-(1,3-thiazol-2-yl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-2-methyl-1-(1,3-thiazol-2-yl)propyl]carbamate is CC(C)[C@H](NC(=O)OC(C)(C)C)c1nccs1.
What is the InChIKey of tert-butyl N-[(1S)-2-methyl-1-(1,3-thiazol-2-yl)propyl]carbamate?
The InChIKey is CZWVRCRWMALPAS-VIFPVBQESA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-8(2)9(10-13-6-7-17-10)14-11(15)16-12(3,4)5/h6-9H,1-5H3,(H,14,15)/t9-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-2-methyl-1-(1,3-thiazol-2-yl)propyl]carbamate?
tert-butyl N-[(1S)-2-methyl-1-(1,3-thiazol-2-yl)propyl]carbamate has a molecular weight of 256.37 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-2-methyl-1-(1,3-thiazol-2-yl)propyl]carbamate is sourced from PubChem (CID 10956191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).