N-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]-2-(propan-2-ylamino)acetamide

C19H20N8OS — CID 122507488

IUPACN-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)Nc1cncc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)c1
InChIInChI=1S/C19H20N8OS/c1-11(2)21-10-17(28)23-15-6-13(7-20-9-15)18-26-27-19(29-18)24-14-3-4-16-12(5-14)8-22-25-16/h3-9,11,21H,10H2,1-2H3,(H,22,25)(H,23,28)(H,24,27)
InChIKeyRLUSEEKYXTXYFI-UHFFFAOYSA-N
MW408.49 g/mol
LogP3.16
Rot. Bonds7

About N-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]-2-(propan-2-ylamino)acetamide

N-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]-2-(propan-2-ylamino)acetamide (PubChem CID 122507488) has the molecular formula C19H20N8OS and a molecular weight of 408.49 g/mol. Its IUPAC name is N-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]-2-(propan-2-ylamino)acetamide
PubChem CID122507488
Molecular FormulaC19H20N8OS
Molecular Weight408.49 g/mol
Exact Mass408.15
IUPAC NameN-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)Nc1cncc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)c1
InChIInChI=1S/C19H20N8OS/c1-11(2)21-10-17(28)23-15-6-13(7-20-9-15)18-26-27-19(29-18)24-14-3-4-16-12(5-14)8-22-25-16/h3-9,11,21H,10H2,1-2H3,(H,22,25)(H,23,28)(H,24,27)
InChIKeyRLUSEEKYXTXYFI-UHFFFAOYSA-N
XLogP3.16
TPSA120.51 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.49
LogP ≤ 53.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]-2-(propan-2-ylamino)acetamide (CID 122507488) is N-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]-2-(propan-2-ylamino)acetamide is CC(C)NCC(=O)Nc1cncc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)c1.
What is the InChIKey of N-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]-2-(propan-2-ylamino)acetamide?
The InChIKey is RLUSEEKYXTXYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8OS/c1-11(2)21-10-17(28)23-15-6-13(7-20-9-15)18-26-27-19(29-18)24-14-3-4-16-12(5-14)8-22-25-16/h3-9,11,21H,10H2,1-2H3,(H,22,25)(H,23,28)(H,24,27).
What are the key properties of N-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]-2-(propan-2-ylamino)acetamide?
N-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]-2-(propan-2-ylamino)acetamide has a molecular weight of 408.49 g/mol, XLogP of 3.16, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 122507488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).