N,4-dimethyl-2-propan-2-yl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-5-carboxamide

C16H23N3O2S — CID 50972753

IUPACN,4-dimethyl-2-propan-2-yl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)sc1C(=O)N(C)Cc1cc(C(C)C)on1
InChIInChI=1S/C16H23N3O2S/c1-9(2)13-7-12(18-21-13)8-19(6)16(20)14-11(5)17-15(22-14)10(3)4/h7,9-10H,8H2,1-6H3
InChIKeyXEDVKEKGRKVVGQ-UHFFFAOYSA-N
MW321.45 g/mol
LogP3.96
Rot. Bonds5

About N,4-dimethyl-2-propan-2-yl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-5-carboxamide

N,4-dimethyl-2-propan-2-yl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 50972753) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N,4-dimethyl-2-propan-2-yl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-2-propan-2-yl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID50972753
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN,4-dimethyl-2-propan-2-yl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)sc1C(=O)N(C)Cc1cc(C(C)C)on1
InChIInChI=1S/C16H23N3O2S/c1-9(2)13-7-12(18-21-13)8-19(6)16(20)14-11(5)17-15(22-14)10(3)4/h7,9-10H,8H2,1-6H3
InChIKeyXEDVKEKGRKVVGQ-UHFFFAOYSA-N
XLogP3.96
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-propan-2-yl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N,4-dimethyl-2-propan-2-yl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-5-carboxamide (CID 50972753) is N,4-dimethyl-2-propan-2-yl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,4-dimethyl-2-propan-2-yl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,4-dimethyl-2-propan-2-yl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-5-carboxamide is Cc1nc(C(C)C)sc1C(=O)N(C)Cc1cc(C(C)C)on1.
What is the InChIKey of N,4-dimethyl-2-propan-2-yl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is XEDVKEKGRKVVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-9(2)13-7-12(18-21-13)8-19(6)16(20)14-11(5)17-15(22-14)10(3)4/h7,9-10H,8H2,1-6H3.
What are the key properties of N,4-dimethyl-2-propan-2-yl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-5-carboxamide?
N,4-dimethyl-2-propan-2-yl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 321.45 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-propan-2-yl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 50972753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).