5-(4-chlorophenyl)-3-[2-(ethylamino)-2-oxoethyl]-N,N,7-trimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C20H23ClN4O2S — CID 46148379

IUPAC5-(4-chlorophenyl)-3-[2-(ethylamino)-2-oxoethyl]-N,N,7-trimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCNC(=O)CC1=CSC2=NC(C)=C(C(=O)N(C)C)C(c3ccc(Cl)cc3)N12
InChIInChI=1S/C20H23ClN4O2S/c1-5-22-16(26)10-15-11-28-20-23-12(2)17(19(27)24(3)4)18(25(15)20)13-6-8-14(21)9-7-13/h6-9,11,18H,5,10H2,1-4H3,(H,22,26)
InChIKeyKANDGWZQYMOZHG-UHFFFAOYSA-N
MW418.95 g/mol
LogP3.53
Rot. Bonds5

About 5-(4-chlorophenyl)-3-[2-(ethylamino)-2-oxoethyl]-N,N,7-trimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

5-(4-chlorophenyl)-3-[2-(ethylamino)-2-oxoethyl]-N,N,7-trimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 46148379) has the molecular formula C20H23ClN4O2S and a molecular weight of 418.95 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-[2-(ethylamino)-2-oxoethyl]-N,N,7-trimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-[2-(ethylamino)-2-oxoethyl]-N,N,7-trimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID46148379
Molecular FormulaC20H23ClN4O2S
Molecular Weight418.95 g/mol
Exact Mass418.12
IUPAC Name5-(4-chlorophenyl)-3-[2-(ethylamino)-2-oxoethyl]-N,N,7-trimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCNC(=O)CC1=CSC2=NC(C)=C(C(=O)N(C)C)C(c3ccc(Cl)cc3)N12
InChIInChI=1S/C20H23ClN4O2S/c1-5-22-16(26)10-15-11-28-20-23-12(2)17(19(27)24(3)4)18(25(15)20)13-6-8-14(21)9-7-13/h6-9,11,18H,5,10H2,1-4H3,(H,22,26)
InChIKeyKANDGWZQYMOZHG-UHFFFAOYSA-N
XLogP3.53
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.95
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-[2-(ethylamino)-2-oxoethyl]-N,N,7-trimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-3-[2-(ethylamino)-2-oxoethyl]-N,N,7-trimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 46148379) is 5-(4-chlorophenyl)-3-[2-(ethylamino)-2-oxoethyl]-N,N,7-trimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-3-[2-(ethylamino)-2-oxoethyl]-N,N,7-trimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-3-[2-(ethylamino)-2-oxoethyl]-N,N,7-trimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCNC(=O)CC1=CSC2=NC(C)=C(C(=O)N(C)C)C(c3ccc(Cl)cc3)N12.
What is the InChIKey of 5-(4-chlorophenyl)-3-[2-(ethylamino)-2-oxoethyl]-N,N,7-trimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is KANDGWZQYMOZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2S/c1-5-22-16(26)10-15-11-28-20-23-12(2)17(19(27)24(3)4)18(25(15)20)13-6-8-14(21)9-7-13/h6-9,11,18H,5,10H2,1-4H3,(H,22,26).
What are the key properties of 5-(4-chlorophenyl)-3-[2-(ethylamino)-2-oxoethyl]-N,N,7-trimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
5-(4-chlorophenyl)-3-[2-(ethylamino)-2-oxoethyl]-N,N,7-trimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 418.95 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-[2-(ethylamino)-2-oxoethyl]-N,N,7-trimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 46148379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).