4-methylsulfanyl-2-pyrrol-1-yl-N-(tetrazolo[1,5-a]pyridin-8-yl)butanamide

C14H16N6OS — CID 121238884

IUPAC4-methylsulfanyl-2-pyrrol-1-yl-N-(tetrazolo[1,5-a]pyridin-8-yl)butanamide
SMILESCSCCC(C(=O)Nc1cccn2nnnc12)n1cccc1
InChIInChI=1S/C14H16N6OS/c1-22-10-6-12(19-7-2-3-8-19)14(21)15-11-5-4-9-20-13(11)16-17-18-20/h2-5,7-9,12H,6,10H2,1H3,(H,15,21)
InChIKeyNZAFCJPLJYJDLF-UHFFFAOYSA-N
MW316.39 g/mol
LogP1.86
Rot. Bonds6

About 4-methylsulfanyl-2-pyrrol-1-yl-N-(tetrazolo[1,5-a]pyridin-8-yl)butanamide

4-methylsulfanyl-2-pyrrol-1-yl-N-(tetrazolo[1,5-a]pyridin-8-yl)butanamide (PubChem CID 121238884) has the molecular formula C14H16N6OS and a molecular weight of 316.39 g/mol. Its IUPAC name is 4-methylsulfanyl-2-pyrrol-1-yl-N-(tetrazolo[1,5-a]pyridin-8-yl)butanamide.

Molecular Properties

Compound Name4-methylsulfanyl-2-pyrrol-1-yl-N-(tetrazolo[1,5-a]pyridin-8-yl)butanamide
PubChem CID121238884
Molecular FormulaC14H16N6OS
Molecular Weight316.39 g/mol
Exact Mass316.11
IUPAC Name4-methylsulfanyl-2-pyrrol-1-yl-N-(tetrazolo[1,5-a]pyridin-8-yl)butanamide
SMILESCSCCC(C(=O)Nc1cccn2nnnc12)n1cccc1
InChIInChI=1S/C14H16N6OS/c1-22-10-6-12(19-7-2-3-8-19)14(21)15-11-5-4-9-20-13(11)16-17-18-20/h2-5,7-9,12H,6,10H2,1H3,(H,15,21)
InChIKeyNZAFCJPLJYJDLF-UHFFFAOYSA-N
XLogP1.86
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methylsulfanyl-2-pyrrol-1-yl-N-quinolin-5-ylbutanamide
CID 121240187
N-[1-(2-methylpropyl)indol-4-yl]-4-methylsulfanyl-2-pyrrol-1-ylbutanamide
CID 121240638
N-(5-chloro-2-pyridinyl)-4-methylsulfanyl-2-pyrrol-1-ylbutanamide
CID 121240820
4-methylsulfanyl-2-pyrrol-1-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 121238820
N-(3-chloro-4-fluorophenyl)-4-methylsulfanyl-2-pyrrol-1-ylbutanamide
CID 121240381
4-methylsulfanyl-2-pyrrol-1-yl-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]butanamide
CID 121238787
(2R)-N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-4-methylsulfanyl-2-pyrrol-1-ylbutanamide
CID 126418017
N-[(1-methylbenzimidazol-2-yl)methyl]-4-methylsulfanyl-2-pyrrol-1-ylbutanamide
CID 121240297
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-4-methylsulfanyl-2-pyrrol-1-ylbutanamide
CID 121239761
(2R)-N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]-4-methylsulfanyl-2-pyrrol-1-ylbutanamide
CID 125432303
4-methylsulfanyl-2-pyrrol-1-yl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]butanamide
CID 121239991
4-methylsulfanyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)-2-pyrrol-1-ylbutanamide
CID 121239448

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-2-pyrrol-1-yl-N-(tetrazolo[1,5-a]pyridin-8-yl)butanamide?
The IUPAC name of 4-methylsulfanyl-2-pyrrol-1-yl-N-(tetrazolo[1,5-a]pyridin-8-yl)butanamide (CID 121238884) is 4-methylsulfanyl-2-pyrrol-1-yl-N-(tetrazolo[1,5-a]pyridin-8-yl)butanamide.
What is the SMILES notation for 4-methylsulfanyl-2-pyrrol-1-yl-N-(tetrazolo[1,5-a]pyridin-8-yl)butanamide?
The canonical SMILES for 4-methylsulfanyl-2-pyrrol-1-yl-N-(tetrazolo[1,5-a]pyridin-8-yl)butanamide is CSCCC(C(=O)Nc1cccn2nnnc12)n1cccc1.
What is the InChIKey of 4-methylsulfanyl-2-pyrrol-1-yl-N-(tetrazolo[1,5-a]pyridin-8-yl)butanamide?
The InChIKey is NZAFCJPLJYJDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6OS/c1-22-10-6-12(19-7-2-3-8-19)14(21)15-11-5-4-9-20-13(11)16-17-18-20/h2-5,7-9,12H,6,10H2,1H3,(H,15,21).
What are the key properties of 4-methylsulfanyl-2-pyrrol-1-yl-N-(tetrazolo[1,5-a]pyridin-8-yl)butanamide?
4-methylsulfanyl-2-pyrrol-1-yl-N-(tetrazolo[1,5-a]pyridin-8-yl)butanamide has a molecular weight of 316.39 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-2-pyrrol-1-yl-N-(tetrazolo[1,5-a]pyridin-8-yl)butanamide is sourced from PubChem (CID 121238884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).