4-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide

C14H20N4OS2 — CID 72896227

IUPAC4-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)sc1C(=O)NCCSc1nccn1C
InChIInChI=1S/C14H20N4OS2/c1-9(2)13-17-10(3)11(21-13)12(19)15-6-8-20-14-16-5-7-18(14)4/h5,7,9H,6,8H2,1-4H3,(H,15,19)
InChIKeyYQTJYVQTEYFIOP-UHFFFAOYSA-N
MW324.48 g/mol
LogP2.83
Rot. Bonds6

About 4-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide

4-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 72896227) has the molecular formula C14H20N4OS2 and a molecular weight of 324.48 g/mol. Its IUPAC name is 4-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID72896227
Molecular FormulaC14H20N4OS2
Molecular Weight324.48 g/mol
Exact Mass324.11
IUPAC Name4-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)sc1C(=O)NCCSc1nccn1C
InChIInChI=1S/C14H20N4OS2/c1-9(2)13-17-10(3)11(21-13)12(19)15-6-8-20-14-16-5-7-18(14)4/h5,7,9H,6,8H2,1-4H3,(H,15,19)
InChIKeyYQTJYVQTEYFIOP-UHFFFAOYSA-N
XLogP2.83
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.48
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide (CID 72896227) is 4-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(C(C)C)sc1C(=O)NCCSc1nccn1C.
What is the InChIKey of 4-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is YQTJYVQTEYFIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS2/c1-9(2)13-17-10(3)11(21-13)12(19)15-6-8-20-14-16-5-7-18(14)4/h5,7,9H,6,8H2,1-4H3,(H,15,19).
What are the key properties of 4-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide?
4-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 324.48 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 72896227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).