tert-butyl N-[4-methyl-5-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]-1,3-thiazol-2-yl]carbamate

C20H27N3O3S — CID 11153498

IUPACtert-butyl N-[4-methyl-5-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]-1,3-thiazol-2-yl]carbamate
SMILESCc1cccc(C(C)C)c1NC(=O)c1sc(NC(=O)OC(C)(C)C)nc1C
InChIInChI=1S/C20H27N3O3S/c1-11(2)14-10-8-9-12(3)15(14)22-17(24)16-13(4)21-18(27-16)23-19(25)26-20(5,6)7/h8-11H,1-7H3,(H,22,24)(H,21,23,25)
InChIKeyQQYIJVYKDGWWTP-UHFFFAOYSA-N
MW389.52 g/mol
LogP5.48
Rot. Bonds4

About tert-butyl N-[4-methyl-5-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]-1,3-thiazol-2-yl]carbamate

tert-butyl N-[4-methyl-5-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]-1,3-thiazol-2-yl]carbamate (PubChem CID 11153498) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is tert-butyl N-[4-methyl-5-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-methyl-5-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]-1,3-thiazol-2-yl]carbamate
PubChem CID11153498
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Nametert-butyl N-[4-methyl-5-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]-1,3-thiazol-2-yl]carbamate
SMILESCc1cccc(C(C)C)c1NC(=O)c1sc(NC(=O)OC(C)(C)C)nc1C
InChIInChI=1S/C20H27N3O3S/c1-11(2)14-10-8-9-12(3)15(14)22-17(24)16-13(4)21-18(27-16)23-19(25)26-20(5,6)7/h8-11H,1-7H3,(H,22,24)(H,21,23,25)
InChIKeyQQYIJVYKDGWWTP-UHFFFAOYSA-N
XLogP5.48
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.52
LogP ≤ 55.48
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-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]-1,3-thiazol-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-methyl-5-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]-1,3-thiazol-2-yl]carbamate (CID 11153498) is tert-butyl N-[4-methyl-5-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-methyl-5-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-methyl-5-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]-1,3-thiazol-2-yl]carbamate is Cc1cccc(C(C)C)c1NC(=O)c1sc(NC(=O)OC(C)(C)C)nc1C.
What is the InChIKey of tert-butyl N-[4-methyl-5-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]-1,3-thiazol-2-yl]carbamate?
The InChIKey is QQYIJVYKDGWWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-11(2)14-10-8-9-12(3)15(14)22-17(24)16-13(4)21-18(27-16)23-19(25)26-20(5,6)7/h8-11H,1-7H3,(H,22,24)(H,21,23,25).
What are the key properties of tert-butyl N-[4-methyl-5-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]-1,3-thiazol-2-yl]carbamate?
tert-butyl N-[4-methyl-5-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]-1,3-thiazol-2-yl]carbamate has a molecular weight of 389.52 g/mol, XLogP of 5.48, 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-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 11153498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).