N-[5-[[(3R)-1-(1,2,4-triazin-3-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide

C11H14N8OS — CID 118542697

IUPACN-[5-[[(3R)-1-(1,2,4-triazin-3-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(N[C@@H]2CCN(c3nccnn3)C2)s1
InChIInChI=1S/C11H14N8OS/c1-7(20)14-10-17-18-11(21-10)15-8-2-5-19(6-8)9-12-3-4-13-16-9/h3-4,8H,2,5-6H2,1H3,(H,15,18)(H,14,17,20)/t8-/m1/s1
InChIKeyAKLBCXRGVIIFQV-MRVPVSSYSA-N
MW306.36 g/mol
LogP0.37
Rot. Bonds4

About N-[5-[[(3R)-1-(1,2,4-triazin-3-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide

N-[5-[[(3R)-1-(1,2,4-triazin-3-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 118542697) has the molecular formula C11H14N8OS and a molecular weight of 306.36 g/mol. Its IUPAC name is N-[5-[[(3R)-1-(1,2,4-triazin-3-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[(3R)-1-(1,2,4-triazin-3-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID118542697
Molecular FormulaC11H14N8OS
Molecular Weight306.36 g/mol
Exact Mass306.10
IUPAC NameN-[5-[[(3R)-1-(1,2,4-triazin-3-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(N[C@@H]2CCN(c3nccnn3)C2)s1
InChIInChI=1S/C11H14N8OS/c1-7(20)14-10-17-18-11(21-10)15-8-2-5-19(6-8)9-12-3-4-13-16-9/h3-4,8H,2,5-6H2,1H3,(H,15,18)(H,14,17,20)/t8-/m1/s1
InChIKeyAKLBCXRGVIIFQV-MRVPVSSYSA-N
XLogP0.37
TPSA108.82 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[(3R)-1-(1,2,4-triazin-3-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[(3R)-1-(1,2,4-triazin-3-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide (CID 118542697) is N-[5-[[(3R)-1-(1,2,4-triazin-3-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[(3R)-1-(1,2,4-triazin-3-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[(3R)-1-(1,2,4-triazin-3-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(N[C@@H]2CCN(c3nccnn3)C2)s1.
What is the InChIKey of N-[5-[[(3R)-1-(1,2,4-triazin-3-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is AKLBCXRGVIIFQV-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14N8OS/c1-7(20)14-10-17-18-11(21-10)15-8-2-5-19(6-8)9-12-3-4-13-16-9/h3-4,8H,2,5-6H2,1H3,(H,15,18)(H,14,17,20)/t8-/m1/s1.
What are the key properties of N-[5-[[(3R)-1-(1,2,4-triazin-3-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-[[(3R)-1-(1,2,4-triazin-3-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 306.36 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(3R)-1-(1,2,4-triazin-3-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 118542697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).