2-methylpropyl N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]carbamate

C21H22N2O2S — CID 108747904

IUPAC2-methylpropyl N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]carbamate
SMILESCc1sc(-c2ccccc2)nc1-c1ccc(NC(=O)OCC(C)C)cc1
InChIInChI=1S/C21H22N2O2S/c1-14(2)13-25-21(24)22-18-11-9-16(10-12-18)19-15(3)26-20(23-19)17-7-5-4-6-8-17/h4-12,14H,13H2,1-3H3,(H,22,24)
InChIKeyQRPYTLFGTMAGMG-UHFFFAOYSA-N
MW366.49 g/mol
LogP5.99
Rot. Bonds5

About 2-methylpropyl N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]carbamate

2-methylpropyl N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]carbamate (PubChem CID 108747904) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-methylpropyl N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]carbamate
PubChem CID108747904
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name2-methylpropyl N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]carbamate
SMILESCc1sc(-c2ccccc2)nc1-c1ccc(NC(=O)OCC(C)C)cc1
InChIInChI=1S/C21H22N2O2S/c1-14(2)13-25-21(24)22-18-11-9-16(10-12-18)19-15(3)26-20(23-19)17-7-5-4-6-8-17/h4-12,14H,13H2,1-3H3,(H,22,24)
InChIKeyQRPYTLFGTMAGMG-UHFFFAOYSA-N
XLogP5.99
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.49
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 108769928
N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 108769998
4-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108769922
2,2,2-trifluoro-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 108769917
2-(4-methoxyphenoxy)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108747930
3-chloro-2,2-dimethyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108769918
2-methylpropyl N-[4-[4-(2-methylpropoxycarbonylamino)phenyl]phenyl]carbamate
CID 18877627
4-(dimethylamino)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108747886
3,4-dimethyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108747881
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 108811606
3-(1,3-dioxoisoindol-2-yl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108769961
2-methylpropyl N-[4-chloro-3-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]phenyl]carbamate
CID 11744465

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]carbamate?
The IUPAC name of 2-methylpropyl N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]carbamate (CID 108747904) is 2-methylpropyl N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]carbamate is Cc1sc(-c2ccccc2)nc1-c1ccc(NC(=O)OCC(C)C)cc1.
What is the InChIKey of 2-methylpropyl N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]carbamate?
The InChIKey is QRPYTLFGTMAGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-14(2)13-25-21(24)22-18-11-9-16(10-12-18)19-15(3)26-20(23-19)17-7-5-4-6-8-17/h4-12,14H,13H2,1-3H3,(H,22,24).
What are the key properties of 2-methylpropyl N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]carbamate?
2-methylpropyl N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]carbamate has a molecular weight of 366.49 g/mol, XLogP of 5.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]carbamate is sourced from PubChem (CID 108747904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).