tert-butyl N-[4-methyl-5-(3-methylbutan-2-ylcarbamoyl)-1,3-thiazol-2-yl]carbamate

C15H25N3O3S — CID 11186472

IUPACtert-butyl N-[4-methyl-5-(3-methylbutan-2-ylcarbamoyl)-1,3-thiazol-2-yl]carbamate
SMILESCc1nc(NC(=O)OC(C)(C)C)sc1C(=O)NC(C)C(C)C
InChIInChI=1S/C15H25N3O3S/c1-8(2)9(3)16-12(19)11-10(4)17-13(22-11)18-14(20)21-15(5,6)7/h8-9H,1-7H3,(H,16,19)(H,17,18,20)
InChIKeyVIJXCAHIZOBABG-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.57
Rot. Bonds4

About tert-butyl N-[4-methyl-5-(3-methylbutan-2-ylcarbamoyl)-1,3-thiazol-2-yl]carbamate

tert-butyl N-[4-methyl-5-(3-methylbutan-2-ylcarbamoyl)-1,3-thiazol-2-yl]carbamate (PubChem CID 11186472) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is tert-butyl N-[4-methyl-5-(3-methylbutan-2-ylcarbamoyl)-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-methyl-5-(3-methylbutan-2-ylcarbamoyl)-1,3-thiazol-2-yl]carbamate
PubChem CID11186472
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC Nametert-butyl N-[4-methyl-5-(3-methylbutan-2-ylcarbamoyl)-1,3-thiazol-2-yl]carbamate
SMILESCc1nc(NC(=O)OC(C)(C)C)sc1C(=O)NC(C)C(C)C
InChIInChI=1S/C15H25N3O3S/c1-8(2)9(3)16-12(19)11-10(4)17-13(22-11)18-14(20)21-15(5,6)7/h8-9H,1-7H3,(H,16,19)(H,17,18,20)
InChIKeyVIJXCAHIZOBABG-UHFFFAOYSA-N
XLogP3.57
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-methyl-5-(3-methylbutan-2-ylcarbamoyl)-1,3-thiazol-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-methyl-5-(3-methylbutan-2-ylcarbamoyl)-1,3-thiazol-2-yl]carbamate (CID 11186472) is tert-butyl N-[4-methyl-5-(3-methylbutan-2-ylcarbamoyl)-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-methyl-5-(3-methylbutan-2-ylcarbamoyl)-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-methyl-5-(3-methylbutan-2-ylcarbamoyl)-1,3-thiazol-2-yl]carbamate is Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)NC(C)C(C)C.
What is the InChIKey of tert-butyl N-[4-methyl-5-(3-methylbutan-2-ylcarbamoyl)-1,3-thiazol-2-yl]carbamate?
The InChIKey is VIJXCAHIZOBABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-8(2)9(3)16-12(19)11-10(4)17-13(22-11)18-14(20)21-15(5,6)7/h8-9H,1-7H3,(H,16,19)(H,17,18,20).
What are the key properties of tert-butyl N-[4-methyl-5-(3-methylbutan-2-ylcarbamoyl)-1,3-thiazol-2-yl]carbamate?
tert-butyl N-[4-methyl-5-(3-methylbutan-2-ylcarbamoyl)-1,3-thiazol-2-yl]carbamate has a molecular weight of 327.45 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-methyl-5-(3-methylbutan-2-ylcarbamoyl)-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 11186472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).