N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide

C9H13N3O2S — CID 47209159

IUPACN-[2-(dimethylamino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCC(=O)N(C)C
InChIInChI=1S/C9H13N3O2S/c1-6-8(15-5-11-6)9(14)10-4-7(13)12(2)3/h5H,4H2,1-3H3,(H,10,14)
InChIKeyVISCEWOYYMVEGD-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.27
Rot. Bonds3

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

N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 47209159) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID47209159
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCC(=O)N(C)C
InChIInChI=1S/C9H13N3O2S/c1-6-8(15-5-11-6)9(14)10-4-7(13)12(2)3/h5H,4H2,1-3H3,(H,10,14)
InChIKeyVISCEWOYYMVEGD-UHFFFAOYSA-N
XLogP0.27
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 47209159) is N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NCC(=O)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is VISCEWOYYMVEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-6-8(15-5-11-6)9(14)10-4-7(13)12(2)3/h5H,4H2,1-3H3,(H,10,14).
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 227.29 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47209159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).