benzyl N-[(1R)-1-(4-cyclopropyl-1,3-thiazol-2-yl)ethyl]carbamate

C16H18N2O2S — CID 163278804

IUPACbenzyl N-[(1R)-1-(4-cyclopropyl-1,3-thiazol-2-yl)ethyl]carbamate
SMILESC[C@@H](NC(=O)OCc1ccccc1)c1nc(C2CC2)cs1
InChIInChI=1S/C16H18N2O2S/c1-11(15-18-14(10-21-15)13-7-8-13)17-16(19)20-9-12-5-3-2-4-6-12/h2-6,10-11,13H,7-9H2,1H3,(H,17,19)/t11-/m1/s1
InChIKeyIMODWBJMGLDVBO-LLVKDONJSA-N
MW302.40 g/mol
LogP4.01
Rot. Bonds5

About benzyl N-[(1R)-1-(4-cyclopropyl-1,3-thiazol-2-yl)ethyl]carbamate

benzyl N-[(1R)-1-(4-cyclopropyl-1,3-thiazol-2-yl)ethyl]carbamate (PubChem CID 163278804) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is benzyl N-[(1R)-1-(4-cyclopropyl-1,3-thiazol-2-yl)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1R)-1-(4-cyclopropyl-1,3-thiazol-2-yl)ethyl]carbamate
PubChem CID163278804
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Namebenzyl N-[(1R)-1-(4-cyclopropyl-1,3-thiazol-2-yl)ethyl]carbamate
SMILESC[C@@H](NC(=O)OCc1ccccc1)c1nc(C2CC2)cs1
InChIInChI=1S/C16H18N2O2S/c1-11(15-18-14(10-21-15)13-7-8-13)17-16(19)20-9-12-5-3-2-4-6-12/h2-6,10-11,13H,7-9H2,1H3,(H,17,19)/t11-/m1/s1
InChIKeyIMODWBJMGLDVBO-LLVKDONJSA-N
XLogP4.01
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[(4-piperidin-4-yl-1,3-thiazol-2-yl)methyl]carbamate
CID 146452432
benzyl N-[1-[4-(hydrazinecarbonyl)-1,3-thiazol-2-yl]-3-methylbutyl]carbamate
CID 18508167
benzyl N-[(2R)-1-[[(1R)-1-(4-butyl-1,3-thiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 10669657
ethyl 2-[1-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]ethyl]-1,3-thiazole-4-carboxylate
CID 10049321
methyl 2-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]-1,3-thiazole-5-carboxylate
CID 86336679
benzyl N-(1,1-dicyclopropylpropan-2-yl)carbamate
CID 169081481
5-[1-(phenylmethoxycarbonylamino)ethyl]-1H-pyrazole-3-carboxylic acid
CID 167742564
benzyl N-[(1S)-1-(1H-imidazol-5-yl)ethyl]carbamate
CID 102036199
benzyl N-[(1S)-1-(2-methyl-2,3-dihydropyrazin-5-yl)ethyl]carbamate
CID 10659854
(3S)-3-(2-methyl-1,3-thiazol-4-yl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 104863011
benzyl N-[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]carbamate
CID 42940881
benzyl N-[(2R)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]carbamate
CID 1103584

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1R)-1-(4-cyclopropyl-1,3-thiazol-2-yl)ethyl]carbamate?
The IUPAC name of benzyl N-[(1R)-1-(4-cyclopropyl-1,3-thiazol-2-yl)ethyl]carbamate (CID 163278804) is benzyl N-[(1R)-1-(4-cyclopropyl-1,3-thiazol-2-yl)ethyl]carbamate.
What is the SMILES notation for benzyl N-[(1R)-1-(4-cyclopropyl-1,3-thiazol-2-yl)ethyl]carbamate?
The canonical SMILES for benzyl N-[(1R)-1-(4-cyclopropyl-1,3-thiazol-2-yl)ethyl]carbamate is C[C@@H](NC(=O)OCc1ccccc1)c1nc(C2CC2)cs1.
What is the InChIKey of benzyl N-[(1R)-1-(4-cyclopropyl-1,3-thiazol-2-yl)ethyl]carbamate?
The InChIKey is IMODWBJMGLDVBO-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-11(15-18-14(10-21-15)13-7-8-13)17-16(19)20-9-12-5-3-2-4-6-12/h2-6,10-11,13H,7-9H2,1H3,(H,17,19)/t11-/m1/s1.
What are the key properties of benzyl N-[(1R)-1-(4-cyclopropyl-1,3-thiazol-2-yl)ethyl]carbamate?
benzyl N-[(1R)-1-(4-cyclopropyl-1,3-thiazol-2-yl)ethyl]carbamate has a molecular weight of 302.40 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1R)-1-(4-cyclopropyl-1,3-thiazol-2-yl)ethyl]carbamate is sourced from PubChem (CID 163278804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).