N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide

C14H16N4O2S2 — CID 3794059

IUPACN-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCc1nc(C)c(-c2csc(NC(=O)C3CC(=O)N(C)C3)n2)s1
InChIInChI=1S/C14H16N4O2S2/c1-7-12(22-8(2)15-7)10-6-21-14(16-10)17-13(20)9-4-11(19)18(3)5-9/h6,9H,4-5H2,1-3H3,(H,16,17,20)
InChIKeyVXERWSPYGZIYIK-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.30
Rot. Bonds3

About N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide

N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 3794059) has the molecular formula C14H16N4O2S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID3794059
Molecular FormulaC14H16N4O2S2
Molecular Weight336.44 g/mol
Exact Mass336.07
IUPAC NameN-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCc1nc(C)c(-c2csc(NC(=O)C3CC(=O)N(C)C3)n2)s1
InChIInChI=1S/C14H16N4O2S2/c1-7-12(22-8(2)15-7)10-6-21-14(16-10)17-13(20)9-4-11(19)18(3)5-9/h6,9H,4-5H2,1-3H3,(H,16,17,20)
InChIKeyVXERWSPYGZIYIK-UHFFFAOYSA-N
XLogP2.30
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 3794059) is N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide is Cc1nc(C)c(-c2csc(NC(=O)C3CC(=O)N(C)C3)n2)s1.
What is the InChIKey of N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VXERWSPYGZIYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S2/c1-7-12(22-8(2)15-7)10-6-21-14(16-10)17-13(20)9-4-11(19)18(3)5-9/h6,9H,4-5H2,1-3H3,(H,16,17,20).
What are the key properties of N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3794059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).