N-[2-[2-(dimethylcarbamoyl)-1,3-thiazol-5-yl]ethyl]-N-(methoxymethyl)-5-methyl-1,3-thiazole-2-carboxamide

C15H20N4O3S2 — CID 134343270

IUPACN-[2-[2-(dimethylcarbamoyl)-1,3-thiazol-5-yl]ethyl]-N-(methoxymethyl)-5-methyl-1,3-thiazole-2-carboxamide
SMILESCOCN(CCc1cnc(C(=O)N(C)C)s1)C(=O)c1ncc(C)s1
InChIInChI=1S/C15H20N4O3S2/c1-10-7-16-13(23-10)15(21)19(9-22-4)6-5-11-8-17-12(24-11)14(20)18(2)3/h7-8H,5-6,9H2,1-4H3
InChIKeyRSYJGWCUEQTXDD-UHFFFAOYSA-N
MW368.48 g/mol
LogP1.90
Rot. Bonds7

About N-[2-[2-(dimethylcarbamoyl)-1,3-thiazol-5-yl]ethyl]-N-(methoxymethyl)-5-methyl-1,3-thiazole-2-carboxamide

N-[2-[2-(dimethylcarbamoyl)-1,3-thiazol-5-yl]ethyl]-N-(methoxymethyl)-5-methyl-1,3-thiazole-2-carboxamide (PubChem CID 134343270) has the molecular formula C15H20N4O3S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[2-[2-(dimethylcarbamoyl)-1,3-thiazol-5-yl]ethyl]-N-(methoxymethyl)-5-methyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(dimethylcarbamoyl)-1,3-thiazol-5-yl]ethyl]-N-(methoxymethyl)-5-methyl-1,3-thiazole-2-carboxamide
PubChem CID134343270
Molecular FormulaC15H20N4O3S2
Molecular Weight368.48 g/mol
Exact Mass368.10
IUPAC NameN-[2-[2-(dimethylcarbamoyl)-1,3-thiazol-5-yl]ethyl]-N-(methoxymethyl)-5-methyl-1,3-thiazole-2-carboxamide
SMILESCOCN(CCc1cnc(C(=O)N(C)C)s1)C(=O)c1ncc(C)s1
InChIInChI=1S/C15H20N4O3S2/c1-10-7-16-13(23-10)15(21)19(9-22-4)6-5-11-8-17-12(24-11)14(20)18(2)3/h7-8H,5-6,9H2,1-4H3
InChIKeyRSYJGWCUEQTXDD-UHFFFAOYSA-N
XLogP1.90
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylcarbamoyl)-1,3-thiazol-5-yl]ethyl]-N-(methoxymethyl)-5-methyl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[2-[2-(dimethylcarbamoyl)-1,3-thiazol-5-yl]ethyl]-N-(methoxymethyl)-5-methyl-1,3-thiazole-2-carboxamide (CID 134343270) is N-[2-[2-(dimethylcarbamoyl)-1,3-thiazol-5-yl]ethyl]-N-(methoxymethyl)-5-methyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[2-[2-(dimethylcarbamoyl)-1,3-thiazol-5-yl]ethyl]-N-(methoxymethyl)-5-methyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[2-[2-(dimethylcarbamoyl)-1,3-thiazol-5-yl]ethyl]-N-(methoxymethyl)-5-methyl-1,3-thiazole-2-carboxamide is COCN(CCc1cnc(C(=O)N(C)C)s1)C(=O)c1ncc(C)s1.
What is the InChIKey of N-[2-[2-(dimethylcarbamoyl)-1,3-thiazol-5-yl]ethyl]-N-(methoxymethyl)-5-methyl-1,3-thiazole-2-carboxamide?
The InChIKey is RSYJGWCUEQTXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S2/c1-10-7-16-13(23-10)15(21)19(9-22-4)6-5-11-8-17-12(24-11)14(20)18(2)3/h7-8H,5-6,9H2,1-4H3.
What are the key properties of N-[2-[2-(dimethylcarbamoyl)-1,3-thiazol-5-yl]ethyl]-N-(methoxymethyl)-5-methyl-1,3-thiazole-2-carboxamide?
N-[2-[2-(dimethylcarbamoyl)-1,3-thiazol-5-yl]ethyl]-N-(methoxymethyl)-5-methyl-1,3-thiazole-2-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 1.90, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylcarbamoyl)-1,3-thiazol-5-yl]ethyl]-N-(methoxymethyl)-5-methyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 134343270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).