N-(1H-imidazol-2-ylmethyl)-N-methyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide

C13H18N4O2S — CID 63939868

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)N(C)Cc1ncc[nH]1
InChIInChI=1S/C13H18N4O2S/c1-10-9-20-13(19)17(10)7-3-4-12(18)16(2)8-11-14-5-6-15-11/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,15)
InChIKeyRRTAOVVICPNBPE-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.38
Rot. Bonds6

About N-(1H-imidazol-2-ylmethyl)-N-methyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide

N-(1H-imidazol-2-ylmethyl)-N-methyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (PubChem CID 63939868) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
PubChem CID63939868
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)N(C)Cc1ncc[nH]1
InChIInChI=1S/C13H18N4O2S/c1-10-9-20-13(19)17(10)7-3-4-12(18)16(2)8-11-14-5-6-15-11/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,15)
InChIKeyRRTAOVVICPNBPE-UHFFFAOYSA-N
XLogP1.38
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (CID 63939868) is N-(1H-imidazol-2-ylmethyl)-N-methyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is Cc1csc(=O)n1CCCC(=O)N(C)Cc1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The InChIKey is RRTAOVVICPNBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-10-9-20-13(19)17(10)7-3-4-12(18)16(2)8-11-14-5-6-15-11/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,15).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
N-(1H-imidazol-2-ylmethyl)-N-methyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide has a molecular weight of 294.38 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N-methyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is sourced from PubChem (CID 63939868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).