N-[4-(hydroxymethyl)thian-4-yl]-2-(2-propan-2-ylimidazol-1-yl)acetamide

C14H23N3O2S — CID 131961824

IUPACN-[4-(hydroxymethyl)thian-4-yl]-2-(2-propan-2-ylimidazol-1-yl)acetamide
SMILESCC(C)c1nccn1CC(=O)NC1(CO)CCSCC1
InChIInChI=1S/C14H23N3O2S/c1-11(2)13-15-5-6-17(13)9-12(19)16-14(10-18)3-7-20-8-4-14/h5-6,11,18H,3-4,7-10H2,1-2H3,(H,16,19)
InChIKeyDYBVGLSKHCVMRC-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.38
Rot. Bonds5

About N-[4-(hydroxymethyl)thian-4-yl]-2-(2-propan-2-ylimidazol-1-yl)acetamide

N-[4-(hydroxymethyl)thian-4-yl]-2-(2-propan-2-ylimidazol-1-yl)acetamide (PubChem CID 131961824) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)thian-4-yl]-2-(2-propan-2-ylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)thian-4-yl]-2-(2-propan-2-ylimidazol-1-yl)acetamide
PubChem CID131961824
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-[4-(hydroxymethyl)thian-4-yl]-2-(2-propan-2-ylimidazol-1-yl)acetamide
SMILESCC(C)c1nccn1CC(=O)NC1(CO)CCSCC1
InChIInChI=1S/C14H23N3O2S/c1-11(2)13-15-5-6-17(13)9-12(19)16-14(10-18)3-7-20-8-4-14/h5-6,11,18H,3-4,7-10H2,1-2H3,(H,16,19)
InChIKeyDYBVGLSKHCVMRC-UHFFFAOYSA-N
XLogP1.38
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-propan-2-ylimidazol-1-yl)acetohydrazide
CID 63579371
N-cyclopentyloxy-2-(2-propan-2-ylimidazol-1-yl)acetamide
CID 167840548
N-[(5-chlorothiophen-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)acetamide
CID 86785368
(2R)-N-[1-(hydroxymethyl)cyclopentyl]-2-(2-methylimidazol-1-yl)propanamide
CID 126438614
N-(3-amino-2-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide
CID 43198911
2-[2-(1-hydroxyethyl)imidazol-1-yl]-N-phenylacetamide
CID 142479688
methyl 2-methyl-3-(2-propan-2-ylimidazol-1-yl)propanoate
CID 43538211
N-[1-(hydroxymethyl)cyclopropyl]-2-(triazol-1-yl)acetamide
CID 115877790
N-(5-amino-2-methoxyphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide
CID 43198896
2-amino-2-ethyl-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid
CID 106806563
[1-(methylamino)-2-[2-(2-propan-2-ylimidazol-1-yl)ethyl]cyclopentyl]methanol
CID 79571468
N-(2-fluoro-5-methylsulfonylphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide
CID 75500271

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)thian-4-yl]-2-(2-propan-2-ylimidazol-1-yl)acetamide?
The IUPAC name of N-[4-(hydroxymethyl)thian-4-yl]-2-(2-propan-2-ylimidazol-1-yl)acetamide (CID 131961824) is N-[4-(hydroxymethyl)thian-4-yl]-2-(2-propan-2-ylimidazol-1-yl)acetamide.
What is the SMILES notation for N-[4-(hydroxymethyl)thian-4-yl]-2-(2-propan-2-ylimidazol-1-yl)acetamide?
The canonical SMILES for N-[4-(hydroxymethyl)thian-4-yl]-2-(2-propan-2-ylimidazol-1-yl)acetamide is CC(C)c1nccn1CC(=O)NC1(CO)CCSCC1.
What is the InChIKey of N-[4-(hydroxymethyl)thian-4-yl]-2-(2-propan-2-ylimidazol-1-yl)acetamide?
The InChIKey is DYBVGLSKHCVMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-11(2)13-15-5-6-17(13)9-12(19)16-14(10-18)3-7-20-8-4-14/h5-6,11,18H,3-4,7-10H2,1-2H3,(H,16,19).
What are the key properties of N-[4-(hydroxymethyl)thian-4-yl]-2-(2-propan-2-ylimidazol-1-yl)acetamide?
N-[4-(hydroxymethyl)thian-4-yl]-2-(2-propan-2-ylimidazol-1-yl)acetamide has a molecular weight of 297.42 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)thian-4-yl]-2-(2-propan-2-ylimidazol-1-yl)acetamide is sourced from PubChem (CID 131961824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).