2-tert-butyl-N-[(4-carbamoyloxan-4-yl)methyl]-1,3-thiazole-5-carboxamide

C15H23N3O3S — CID 47886209

IUPAC2-tert-butyl-N-[(4-carbamoyloxan-4-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)NCC2(C(N)=O)CCOCC2)s1
InChIInChI=1S/C15H23N3O3S/c1-14(2,3)13-17-8-10(22-13)11(19)18-9-15(12(16)20)4-6-21-7-5-15/h8H,4-7,9H2,1-3H3,(H2,16,20)(H,18,19)
InChIKeyDTMDYCKTZZZHGE-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.45
Rot. Bonds4

About 2-tert-butyl-N-[(4-carbamoyloxan-4-yl)methyl]-1,3-thiazole-5-carboxamide

2-tert-butyl-N-[(4-carbamoyloxan-4-yl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 47886209) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 2-tert-butyl-N-[(4-carbamoyloxan-4-yl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[(4-carbamoyloxan-4-yl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID47886209
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name2-tert-butyl-N-[(4-carbamoyloxan-4-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)NCC2(C(N)=O)CCOCC2)s1
InChIInChI=1S/C15H23N3O3S/c1-14(2,3)13-17-8-10(22-13)11(19)18-9-15(12(16)20)4-6-21-7-5-15/h8H,4-7,9H2,1-3H3,(H2,16,20)(H,18,19)
InChIKeyDTMDYCKTZZZHGE-UHFFFAOYSA-N
XLogP1.45
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[(4-carbamoyloxan-4-yl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-[(4-carbamoyloxan-4-yl)methyl]-1,3-thiazole-5-carboxamide (CID 47886209) is 2-tert-butyl-N-[(4-carbamoyloxan-4-yl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[(4-carbamoyloxan-4-yl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[(4-carbamoyloxan-4-yl)methyl]-1,3-thiazole-5-carboxamide is CC(C)(C)c1ncc(C(=O)NCC2(C(N)=O)CCOCC2)s1.
What is the InChIKey of 2-tert-butyl-N-[(4-carbamoyloxan-4-yl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is DTMDYCKTZZZHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-14(2,3)13-17-8-10(22-13)11(19)18-9-15(12(16)20)4-6-21-7-5-15/h8H,4-7,9H2,1-3H3,(H2,16,20)(H,18,19).
What are the key properties of 2-tert-butyl-N-[(4-carbamoyloxan-4-yl)methyl]-1,3-thiazole-5-carboxamide?
2-tert-butyl-N-[(4-carbamoyloxan-4-yl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 325.43 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[(4-carbamoyloxan-4-yl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47886209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).