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

C11H17N3O2S — CID 47209048

IUPACN,4-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(C)CC(=O)NC(C)C
InChIInChI=1S/C11H17N3O2S/c1-7(2)13-9(15)5-14(4)11(16)10-8(3)12-6-17-10/h6-7H,5H2,1-4H3,(H,13,15)
InChIKeyLDZJTUZUSPXIBJ-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.05
Rot. Bonds4

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

N,4-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 47209048) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is N,4-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID47209048
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC NameN,4-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(C)CC(=O)NC(C)C
InChIInChI=1S/C11H17N3O2S/c1-7(2)13-9(15)5-14(4)11(16)10-8(3)12-6-17-10/h6-7H,5H2,1-4H3,(H,13,15)
InChIKeyLDZJTUZUSPXIBJ-UHFFFAOYSA-N
XLogP1.05
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N,4-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide (CID 47209048) is N,4-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,4-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,4-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)N(C)CC(=O)NC(C)C.
What is the InChIKey of N,4-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is LDZJTUZUSPXIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-7(2)13-9(15)5-14(4)11(16)10-8(3)12-6-17-10/h6-7H,5H2,1-4H3,(H,13,15).
What are the key properties of N,4-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?
N,4-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47209048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).