3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide

C11H15N5OS2 — CID 78927799

IUPAC3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide
SMILESCc1nc(NC(=O)CCSCc2csc(C)n2)n[nH]1
InChIInChI=1S/C11H15N5OS2/c1-7-12-11(16-15-7)14-10(17)3-4-18-5-9-6-19-8(2)13-9/h6H,3-5H2,1-2H3,(H2,12,14,15,16,17)
InChIKeyAVIQFEUMDZNWJA-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.14
Rot. Bonds6

About 3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide

3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide (PubChem CID 78927799) has the molecular formula C11H15N5OS2 and a molecular weight of 297.41 g/mol. Its IUPAC name is 3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound Name3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide
PubChem CID78927799
Molecular FormulaC11H15N5OS2
Molecular Weight297.41 g/mol
Exact Mass297.07
IUPAC Name3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide
SMILESCc1nc(NC(=O)CCSCc2csc(C)n2)n[nH]1
InChIInChI=1S/C11H15N5OS2/c1-7-12-11(16-15-7)14-10(17)3-4-18-5-9-6-19-8(2)13-9/h6H,3-5H2,1-2H3,(H2,12,14,15,16,17)
InChIKeyAVIQFEUMDZNWJA-UHFFFAOYSA-N
XLogP2.14
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide
CID 47074392
3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide
CID 104619822
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 104817411
N-(4-chlorophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 16909032
N-(3-acetamidophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 16909116
N-(2-amino-2-oxoethyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 63904964
N-cyclopentyl-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 16908989
ethyl 2-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoylamino]acetate
CID 60811261
2-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoylamino]butanoic acid
CID 79793366
(2R)-3-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoylamino]butanoic acid
CID 79010693
3-(4-fluorophenyl)sulfanyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide
CID 78927661
N-[(2S)-6-methylheptan-2-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of 3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide (CID 78927799) is 3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for 3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for 3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide is Cc1nc(NC(=O)CCSCc2csc(C)n2)n[nH]1.
What is the InChIKey of 3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide?
The InChIKey is AVIQFEUMDZNWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS2/c1-7-12-11(16-15-7)14-10(17)3-4-18-5-9-6-19-8(2)13-9/h6H,3-5H2,1-2H3,(H2,12,14,15,16,17).
What are the key properties of 3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide?
3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide has a molecular weight of 297.41 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 78927799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).