2,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-4-carboxamide

C11H17N3O2S — CID 77097451

IUPAC2,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCC(=O)NC(C)C)c(C)s1
InChIInChI=1S/C11H17N3O2S/c1-6(2)13-9(15)5-12-11(16)10-7(3)17-8(4)14-10/h6H,5H2,1-4H3,(H,12,16)(H,13,15)
InChIKeyKVDQCLRSBPDFND-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.01
Rot. Bonds4

About 2,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-4-carboxamide

2,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 77097451) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID77097451
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCC(=O)NC(C)C)c(C)s1
InChIInChI=1S/C11H17N3O2S/c1-6(2)13-9(15)5-12-11(16)10-7(3)17-8(4)14-10/h6H,5H2,1-4H3,(H,12,16)(H,13,15)
InChIKeyKVDQCLRSBPDFND-UHFFFAOYSA-N
XLogP1.01
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-4-carboxamide (CID 77097451) is 2,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NCC(=O)NC(C)C)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is KVDQCLRSBPDFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-6(2)13-9(15)5-12-11(16)10-7(3)17-8(4)14-10/h6H,5H2,1-4H3,(H,12,16)(H,13,15).
What are the key properties of 2,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-4-carboxamide?
2,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 77097451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).