N-(5-iodo-2-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide

C11H11IN4OS — CID 15944403

IUPACN-(5-iodo-2-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCn1ccnc1SCC(=O)Nc1ccc(I)cn1
InChIInChI=1S/C11H11IN4OS/c1-16-5-4-13-11(16)18-7-10(17)15-9-3-2-8(12)6-14-9/h2-6H,7H2,1H3,(H,14,15,17)
InChIKeyYHVNIUDDELNLHI-UHFFFAOYSA-N
MW374.21 g/mol
LogP2.15
Rot. Bonds4

About N-(5-iodo-2-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide

N-(5-iodo-2-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide (PubChem CID 15944403) has the molecular formula C11H11IN4OS and a molecular weight of 374.21 g/mol. Its IUPAC name is N-(5-iodo-2-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-iodo-2-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
PubChem CID15944403
Molecular FormulaC11H11IN4OS
Molecular Weight374.21 g/mol
Exact Mass373.97
IUPAC NameN-(5-iodo-2-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCn1ccnc1SCC(=O)Nc1ccc(I)cn1
InChIInChI=1S/C11H11IN4OS/c1-16-5-4-13-11(16)18-7-10(17)15-9-3-2-8(12)6-14-9/h2-6H,7H2,1H3,(H,14,15,17)
InChIKeyYHVNIUDDELNLHI-UHFFFAOYSA-N
XLogP2.15
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.21
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methylimidazol-2-yl)sulfanylacetohydrazide
CID 63580041
4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 18073833
N-(3-hydroxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 581967
2-(1-methylimidazol-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 712610
N-[4-[(2R)-butan-2-yl]phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 670611
4-chloro-2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoic acid
CID 45293920
2-(1-methylimidazol-2-yl)sulfanyl-N-[4-(N-propan-2-ylanilino)phenyl]acetamide
CID 23987303
N-(2-chloro-4-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 23847583
N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 7364423
N-(2-hydroxyphenyl)-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 18138392
2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 25250353
2-(1-methylimidazol-2-yl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 593328

Frequently Asked Questions

What is the IUPAC name of N-(5-iodo-2-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(5-iodo-2-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide (CID 15944403) is N-(5-iodo-2-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(5-iodo-2-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(5-iodo-2-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide is Cn1ccnc1SCC(=O)Nc1ccc(I)cn1.
What is the InChIKey of N-(5-iodo-2-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The InChIKey is YHVNIUDDELNLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN4OS/c1-16-5-4-13-11(16)18-7-10(17)15-9-3-2-8(12)6-14-9/h2-6H,7H2,1H3,(H,14,15,17).
What are the key properties of N-(5-iodo-2-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
N-(5-iodo-2-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide has a molecular weight of 374.21 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-iodo-2-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 15944403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).