2-methylpentan-2-yl N-(4-methyl-2-pyridin-3-yl-4,5-dihydro-1,3-thiazol-5-yl)carbamate

C16H23N3O2S — CID 70835044

IUPAC2-methylpentan-2-yl N-(4-methyl-2-pyridin-3-yl-4,5-dihydro-1,3-thiazol-5-yl)carbamate
SMILESCCCC(C)(C)OC(=O)NC1SC(c2cccnc2)=NC1C
InChIInChI=1S/C16H23N3O2S/c1-5-8-16(3,4)21-15(20)19-13-11(2)18-14(22-13)12-7-6-9-17-10-12/h6-7,9-11,13H,5,8H2,1-4H3,(H,19,20)
InChIKeyINAUFRUVYVOQGG-UHFFFAOYSA-N
MW321.45 g/mol
LogP3.59
Rot. Bonds5

About 2-methylpentan-2-yl N-(4-methyl-2-pyridin-3-yl-4,5-dihydro-1,3-thiazol-5-yl)carbamate

2-methylpentan-2-yl N-(4-methyl-2-pyridin-3-yl-4,5-dihydro-1,3-thiazol-5-yl)carbamate (PubChem CID 70835044) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 2-methylpentan-2-yl N-(4-methyl-2-pyridin-3-yl-4,5-dihydro-1,3-thiazol-5-yl)carbamate.

Molecular Properties

Compound Name2-methylpentan-2-yl N-(4-methyl-2-pyridin-3-yl-4,5-dihydro-1,3-thiazol-5-yl)carbamate
PubChem CID70835044
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name2-methylpentan-2-yl N-(4-methyl-2-pyridin-3-yl-4,5-dihydro-1,3-thiazol-5-yl)carbamate
SMILESCCCC(C)(C)OC(=O)NC1SC(c2cccnc2)=NC1C
InChIInChI=1S/C16H23N3O2S/c1-5-8-16(3,4)21-15(20)19-13-11(2)18-14(22-13)12-7-6-9-17-10-12/h6-7,9-11,13H,5,8H2,1-4H3,(H,19,20)
InChIKeyINAUFRUVYVOQGG-UHFFFAOYSA-N
XLogP3.59
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylpentan-2-yl N-(4-methyl-2-pyridin-3-yl-4,5-dihydro-1,3-thiazol-5-yl)carbamate?
The IUPAC name of 2-methylpentan-2-yl N-(4-methyl-2-pyridin-3-yl-4,5-dihydro-1,3-thiazol-5-yl)carbamate (CID 70835044) is 2-methylpentan-2-yl N-(4-methyl-2-pyridin-3-yl-4,5-dihydro-1,3-thiazol-5-yl)carbamate.
What is the SMILES notation for 2-methylpentan-2-yl N-(4-methyl-2-pyridin-3-yl-4,5-dihydro-1,3-thiazol-5-yl)carbamate?
The canonical SMILES for 2-methylpentan-2-yl N-(4-methyl-2-pyridin-3-yl-4,5-dihydro-1,3-thiazol-5-yl)carbamate is CCCC(C)(C)OC(=O)NC1SC(c2cccnc2)=NC1C.
What is the InChIKey of 2-methylpentan-2-yl N-(4-methyl-2-pyridin-3-yl-4,5-dihydro-1,3-thiazol-5-yl)carbamate?
The InChIKey is INAUFRUVYVOQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-5-8-16(3,4)21-15(20)19-13-11(2)18-14(22-13)12-7-6-9-17-10-12/h6-7,9-11,13H,5,8H2,1-4H3,(H,19,20).
What are the key properties of 2-methylpentan-2-yl N-(4-methyl-2-pyridin-3-yl-4,5-dihydro-1,3-thiazol-5-yl)carbamate?
2-methylpentan-2-yl N-(4-methyl-2-pyridin-3-yl-4,5-dihydro-1,3-thiazol-5-yl)carbamate has a molecular weight of 321.45 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentan-2-yl N-(4-methyl-2-pyridin-3-yl-4,5-dihydro-1,3-thiazol-5-yl)carbamate is sourced from PubChem (CID 70835044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).