N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide

C15H21ClN4OS — CID 72837875

IUPACN-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
SMILESCc1nc(CCNC(=O)C(C)n2ccnc2C(C)C)sc1Cl
InChIInChI=1S/C15H21ClN4OS/c1-9(2)14-17-7-8-20(14)11(4)15(21)18-6-5-12-19-10(3)13(16)22-12/h7-9,11H,5-6H2,1-4H3,(H,18,21)
InChIKeyZUNGOONMCWASTA-UHFFFAOYSA-N
MW340.88 g/mol
LogP3.34
Rot. Bonds6

About N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide

N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide (PubChem CID 72837875) has the molecular formula C15H21ClN4OS and a molecular weight of 340.88 g/mol. Its IUPAC name is N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
PubChem CID72837875
Molecular FormulaC15H21ClN4OS
Molecular Weight340.88 g/mol
Exact Mass340.11
IUPAC NameN-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
SMILESCc1nc(CCNC(=O)C(C)n2ccnc2C(C)C)sc1Cl
InChIInChI=1S/C15H21ClN4OS/c1-9(2)14-17-7-8-20(14)11(4)15(21)18-6-5-12-19-10(3)13(16)22-12/h7-9,11H,5-6H2,1-4H3,(H,18,21)
InChIKeyZUNGOONMCWASTA-UHFFFAOYSA-N
XLogP3.34
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.88
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The IUPAC name of N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide (CID 72837875) is N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The canonical SMILES for N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide is Cc1nc(CCNC(=O)C(C)n2ccnc2C(C)C)sc1Cl.
What is the InChIKey of N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The InChIKey is ZUNGOONMCWASTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4OS/c1-9(2)14-17-7-8-20(14)11(4)15(21)18-6-5-12-19-10(3)13(16)22-12/h7-9,11H,5-6H2,1-4H3,(H,18,21).
What are the key properties of N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide has a molecular weight of 340.88 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide is sourced from PubChem (CID 72837875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).