N-(2-chloro-3-pyridinyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide

C12H15ClN6OS — CID 36795150

IUPACN-(2-chloro-3-pyridinyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide
SMILESCC(C)Cn1nnnc1SCC(=O)Nc1cccnc1Cl
InChIInChI=1S/C12H15ClN6OS/c1-8(2)6-19-12(16-17-18-19)21-7-10(20)15-9-4-3-5-14-11(9)13/h3-5,8H,6-7H2,1-2H3,(H,15,20)
InChIKeyKRERLOSSCBYZEC-UHFFFAOYSA-N
MW326.81 g/mol
LogP2.11
Rot. Bonds6

About N-(2-chloro-3-pyridinyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide

N-(2-chloro-3-pyridinyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 36795150) has the molecular formula C12H15ClN6OS and a molecular weight of 326.81 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID36795150
Molecular FormulaC12H15ClN6OS
Molecular Weight326.81 g/mol
Exact Mass326.07
IUPAC NameN-(2-chloro-3-pyridinyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide
SMILESCC(C)Cn1nnnc1SCC(=O)Nc1cccnc1Cl
InChIInChI=1S/C12H15ClN6OS/c1-8(2)6-19-12(16-17-18-19)21-7-10(20)15-9-4-3-5-14-11(9)13/h3-5,8H,6-7H2,1-2H3,(H,15,20)
InChIKeyKRERLOSSCBYZEC-UHFFFAOYSA-N
XLogP2.11
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-3-pyridinyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 18276902
2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-(1-phenylethyl)acetamide
CID 51270218
N-(2-methoxy-5-methylphenyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide
CID 36794853
N-(2-chloro-3-pyridinyl)-2-[[4-methyl-5-[1-(4-propan-2-ylphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 17306722
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide
CID 43034765
N-(2-chloro-3-pyridinyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3894408
2-[[4-(2-aminoethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide
CID 65294412
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide
CID 55462827
2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide
CID 2530193
2-(2-bromophenyl)sulfanyl-N-(2-chloro-3-pyridinyl)acetamide
CID 51258941
3-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)propanamide
CID 46632859
N-(2-chloro-3-pyridinyl)-2-[[4-methyl-5-[1-(3-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 19636200

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide (CID 36795150) is N-(2-chloro-3-pyridinyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide is CC(C)Cn1nnnc1SCC(=O)Nc1cccnc1Cl.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is KRERLOSSCBYZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN6OS/c1-8(2)6-19-12(16-17-18-19)21-7-10(20)15-9-4-3-5-14-11(9)13/h3-5,8H,6-7H2,1-2H3,(H,15,20).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide?
N-(2-chloro-3-pyridinyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 326.81 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 36795150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).