tert-butyl N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]carbamate

C16H20N2O2S — CID 138728270

IUPACtert-butyl N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]carbamate
SMILESCc1ncsc1-c1ccc(CNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C16H20N2O2S/c1-11-14(21-10-18-11)13-7-5-12(6-8-13)9-17-15(19)20-16(2,3)4/h5-8,10H,9H2,1-4H3,(H,17,19)
InChIKeyQVZWBGUVSPTOQF-UHFFFAOYSA-N
MW304.42 g/mol
LogP4.14
Rot. Bonds3

About tert-butyl N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]carbamate

tert-butyl N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]carbamate (PubChem CID 138728270) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is tert-butyl N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]carbamate
PubChem CID138728270
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Nametert-butyl N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]carbamate
SMILESCc1ncsc1-c1ccc(CNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C16H20N2O2S/c1-11-14(21-10-18-11)13-7-5-12(6-8-13)9-17-15(19)20-16(2,3)4/h5-8,10H,9H2,1-4H3,(H,17,19)
InChIKeyQVZWBGUVSPTOQF-UHFFFAOYSA-N
XLogP4.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]carbamate (CID 138728270) is tert-butyl N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]carbamate is Cc1ncsc1-c1ccc(CNC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]carbamate?
The InChIKey is QVZWBGUVSPTOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-11-14(21-10-18-11)13-7-5-12(6-8-13)9-17-15(19)20-16(2,3)4/h5-8,10H,9H2,1-4H3,(H,17,19).
What are the key properties of tert-butyl N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]carbamate?
tert-butyl N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]carbamate has a molecular weight of 304.42 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]carbamate is sourced from PubChem (CID 138728270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).