benzyl N-[2-methyl-4-(1,3-thiazol-2-yl)butyl]carbamate

C16H20N2O2S — CID 57242368

IUPACbenzyl N-[2-methyl-4-(1,3-thiazol-2-yl)butyl]carbamate
SMILESCC(CCc1nccs1)CNC(=O)OCc1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-13(7-8-15-17-9-10-21-15)11-18-16(19)20-12-14-5-3-2-4-6-14/h2-6,9-10,13H,7-8,11-12H2,1H3,(H,18,19)
InChIKeyXTWOIDYUNHVEBF-UHFFFAOYSA-N
MW304.41 g/mol
LogP3.64
Rot. Bonds7

About benzyl N-[2-methyl-4-(1,3-thiazol-2-yl)butyl]carbamate

benzyl N-[2-methyl-4-(1,3-thiazol-2-yl)butyl]carbamate (PubChem CID 57242368) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is benzyl N-[2-methyl-4-(1,3-thiazol-2-yl)butyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-methyl-4-(1,3-thiazol-2-yl)butyl]carbamate
PubChem CID57242368
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC Namebenzyl N-[2-methyl-4-(1,3-thiazol-2-yl)butyl]carbamate
SMILESCC(CCc1nccs1)CNC(=O)OCc1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-13(7-8-15-17-9-10-21-15)11-18-16(19)20-12-14-5-3-2-4-6-14/h2-6,9-10,13H,7-8,11-12H2,1H3,(H,18,19)
InChIKeyXTWOIDYUNHVEBF-UHFFFAOYSA-N
XLogP3.64
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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benzyl N-[(3R)-3-methyl-4-(2-methylpropylamino)butyl]carbamate
CID 134268781
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benzyl N-[(2R)-3-cyano-2-methylpropyl]carbamate
CID 70119870
2-amino-4-phenyl-N-(1,3-thiazol-2-ylmethyl)butanamide
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N,2-dimethyl-4-(1,3-thiazol-2-yl)butan-1-amine
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benzyl N-[4-[methyl(1,3-thiazol-2-yl)amino]-4-oxobutyl]carbamate
CID 47062372
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CID 69087591

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-methyl-4-(1,3-thiazol-2-yl)butyl]carbamate?
The IUPAC name of benzyl N-[2-methyl-4-(1,3-thiazol-2-yl)butyl]carbamate (CID 57242368) is benzyl N-[2-methyl-4-(1,3-thiazol-2-yl)butyl]carbamate.
What is the SMILES notation for benzyl N-[2-methyl-4-(1,3-thiazol-2-yl)butyl]carbamate?
The canonical SMILES for benzyl N-[2-methyl-4-(1,3-thiazol-2-yl)butyl]carbamate is CC(CCc1nccs1)CNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-methyl-4-(1,3-thiazol-2-yl)butyl]carbamate?
The InChIKey is XTWOIDYUNHVEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-13(7-8-15-17-9-10-21-15)11-18-16(19)20-12-14-5-3-2-4-6-14/h2-6,9-10,13H,7-8,11-12H2,1H3,(H,18,19).
What are the key properties of benzyl N-[2-methyl-4-(1,3-thiazol-2-yl)butyl]carbamate?
benzyl N-[2-methyl-4-(1,3-thiazol-2-yl)butyl]carbamate has a molecular weight of 304.41 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-methyl-4-(1,3-thiazol-2-yl)butyl]carbamate is sourced from PubChem (CID 57242368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).