N-[3-(dimethylamino)-3-oxopropyl]-N,4,5-trimethyl-1,3-thiazole-2-carboxamide

C12H19N3O2S — CID 123469178

IUPACN-[3-(dimethylamino)-3-oxopropyl]-N,4,5-trimethyl-1,3-thiazole-2-carboxamide
SMILESCc1nc(C(=O)N(C)CCC(=O)N(C)C)sc1C
InChIInChI=1S/C12H19N3O2S/c1-8-9(2)18-11(13-8)12(17)15(5)7-6-10(16)14(3)4/h6-7H2,1-5H3
InChIKeyRDDZISZOZPVHMC-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.31
Rot. Bonds4

About N-[3-(dimethylamino)-3-oxopropyl]-N,4,5-trimethyl-1,3-thiazole-2-carboxamide

N-[3-(dimethylamino)-3-oxopropyl]-N,4,5-trimethyl-1,3-thiazole-2-carboxamide (PubChem CID 123469178) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-[3-(dimethylamino)-3-oxopropyl]-N,4,5-trimethyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-3-oxopropyl]-N,4,5-trimethyl-1,3-thiazole-2-carboxamide
PubChem CID123469178
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-[3-(dimethylamino)-3-oxopropyl]-N,4,5-trimethyl-1,3-thiazole-2-carboxamide
SMILESCc1nc(C(=O)N(C)CCC(=O)N(C)C)sc1C
InChIInChI=1S/C12H19N3O2S/c1-8-9(2)18-11(13-8)12(17)15(5)7-6-10(16)14(3)4/h6-7H2,1-5H3
InChIKeyRDDZISZOZPVHMC-UHFFFAOYSA-N
XLogP1.31
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-3-oxopropyl]-N,4,5-trimethyl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-3-oxopropyl]-N,4,5-trimethyl-1,3-thiazole-2-carboxamide (CID 123469178) is N-[3-(dimethylamino)-3-oxopropyl]-N,4,5-trimethyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-3-oxopropyl]-N,4,5-trimethyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-3-oxopropyl]-N,4,5-trimethyl-1,3-thiazole-2-carboxamide is Cc1nc(C(=O)N(C)CCC(=O)N(C)C)sc1C.
What is the InChIKey of N-[3-(dimethylamino)-3-oxopropyl]-N,4,5-trimethyl-1,3-thiazole-2-carboxamide?
The InChIKey is RDDZISZOZPVHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-8-9(2)18-11(13-8)12(17)15(5)7-6-10(16)14(3)4/h6-7H2,1-5H3.
What are the key properties of N-[3-(dimethylamino)-3-oxopropyl]-N,4,5-trimethyl-1,3-thiazole-2-carboxamide?
N-[3-(dimethylamino)-3-oxopropyl]-N,4,5-trimethyl-1,3-thiazole-2-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-3-oxopropyl]-N,4,5-trimethyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 123469178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).