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

C18H13N9OS — CID 122507371

IUPACN-[2-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-4-pyridinyl]-1H-imidazole-5-carboxamide
SMILESO=C(Nc1ccnc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)c1)c1cnc[nH]1
InChIInChI=1S/C18H13N9OS/c28-16(15-8-19-9-21-15)23-12-3-4-20-14(6-12)17-26-27-18(29-17)24-11-1-2-13-10(5-11)7-22-25-13/h1-9H,(H,19,21)(H,22,25)(H,24,27)(H,20,23,28)
InChIKeyWBZPLGPSOOOCTR-UHFFFAOYSA-N
MW403.43 g/mol
LogP3.20
Rot. Bonds5

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

N-[2-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-4-pyridinyl]-1H-imidazole-5-carboxamide (PubChem CID 122507371) has the molecular formula C18H13N9OS and a molecular weight of 403.43 g/mol. Its IUPAC name is N-[2-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-4-pyridinyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-4-pyridinyl]-1H-imidazole-5-carboxamide
PubChem CID122507371
Molecular FormulaC18H13N9OS
Molecular Weight403.43 g/mol
Exact Mass403.10
IUPAC NameN-[2-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-4-pyridinyl]-1H-imidazole-5-carboxamide
SMILESO=C(Nc1ccnc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)c1)c1cnc[nH]1
InChIInChI=1S/C18H13N9OS/c28-16(15-8-19-9-21-15)23-12-3-4-20-14(6-12)17-26-27-18(29-17)24-11-1-2-13-10(5-11)7-22-25-13/h1-9H,(H,19,21)(H,22,25)(H,24,27)(H,20,23,28)
InChIKeyWBZPLGPSOOOCTR-UHFFFAOYSA-N
XLogP3.20
TPSA137.16 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 53.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-4-pyridinyl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[2-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-4-pyridinyl]-1H-imidazole-5-carboxamide (CID 122507371) is N-[2-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-4-pyridinyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[2-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-4-pyridinyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[2-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-4-pyridinyl]-1H-imidazole-5-carboxamide is O=C(Nc1ccnc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)c1)c1cnc[nH]1.
What is the InChIKey of N-[2-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-4-pyridinyl]-1H-imidazole-5-carboxamide?
The InChIKey is WBZPLGPSOOOCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N9OS/c28-16(15-8-19-9-21-15)23-12-3-4-20-14(6-12)17-26-27-18(29-17)24-11-1-2-13-10(5-11)7-22-25-13/h1-9H,(H,19,21)(H,22,25)(H,24,27)(H,20,23,28).
What are the key properties of N-[2-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-4-pyridinyl]-1H-imidazole-5-carboxamide?
N-[2-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-4-pyridinyl]-1H-imidazole-5-carboxamide has a molecular weight of 403.43 g/mol, XLogP of 3.20, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-4-pyridinyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 122507371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).