N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-imidazol-1-ylpropanamide

C11H14N4OS — CID 47205564

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-imidazol-1-ylpropanamide
SMILESCc1nc(NC(=O)C(C)n2ccnc2)sc1C
InChIInChI=1S/C11H14N4OS/c1-7-9(3)17-11(13-7)14-10(16)8(2)15-5-4-12-6-15/h4-6,8H,1-3H3,(H,13,14,16)
InChIKeyWSVMNFMCEUQEHV-UHFFFAOYSA-N
MW250.33 g/mol
LogP2.16
Rot. Bonds3

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-imidazol-1-ylpropanamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-imidazol-1-ylpropanamide (PubChem CID 47205564) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-imidazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-imidazol-1-ylpropanamide
PubChem CID47205564
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-imidazol-1-ylpropanamide
SMILESCc1nc(NC(=O)C(C)n2ccnc2)sc1C
InChIInChI=1S/C11H14N4OS/c1-7-9(3)17-11(13-7)14-10(16)8(2)15-5-4-12-6-15/h4-6,8H,1-3H3,(H,13,14,16)
InChIKeyWSVMNFMCEUQEHV-UHFFFAOYSA-N
XLogP2.16
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-imidazol-1-ylpropanamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-imidazol-1-ylpropanamide (CID 47205564) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-imidazol-1-ylpropanamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-imidazol-1-ylpropanamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-imidazol-1-ylpropanamide is Cc1nc(NC(=O)C(C)n2ccnc2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-imidazol-1-ylpropanamide?
The InChIKey is WSVMNFMCEUQEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-7-9(3)17-11(13-7)14-10(16)8(2)15-5-4-12-6-15/h4-6,8H,1-3H3,(H,13,14,16).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-imidazol-1-ylpropanamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-imidazol-1-ylpropanamide has a molecular weight of 250.33 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-imidazol-1-ylpropanamide is sourced from PubChem (CID 47205564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).