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

C18H18N8OS — CID 122507458

IUPAC2-(dimethylamino)-N-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]acetamide
SMILESCN(C)CC(=O)Nc1cncc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)c1
InChIInChI=1S/C18H18N8OS/c1-26(2)10-16(27)21-14-6-12(7-19-9-14)17-24-25-18(28-17)22-13-3-4-15-11(5-13)8-20-23-15/h3-9H,10H2,1-2H3,(H,20,23)(H,21,27)(H,22,25)
InChIKeyOKHSFASQIGEPAB-UHFFFAOYSA-N
MW394.46 g/mol
LogP2.72
Rot. Bonds6

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

2-(dimethylamino)-N-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]acetamide (PubChem CID 122507458) has the molecular formula C18H18N8OS and a molecular weight of 394.46 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]acetamide
PubChem CID122507458
Molecular FormulaC18H18N8OS
Molecular Weight394.46 g/mol
Exact Mass394.13
IUPAC Name2-(dimethylamino)-N-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]acetamide
SMILESCN(C)CC(=O)Nc1cncc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)c1
InChIInChI=1S/C18H18N8OS/c1-26(2)10-16(27)21-14-6-12(7-19-9-14)17-24-25-18(28-17)22-13-3-4-15-11(5-13)8-20-23-15/h3-9H,10H2,1-2H3,(H,20,23)(H,21,27)(H,22,25)
InChIKeyOKHSFASQIGEPAB-UHFFFAOYSA-N
XLogP2.72
TPSA111.72 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]acetamide (CID 122507458) is 2-(dimethylamino)-N-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]acetamide is CN(C)CC(=O)Nc1cncc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)c1.
What is the InChIKey of 2-(dimethylamino)-N-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]acetamide?
The InChIKey is OKHSFASQIGEPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8OS/c1-26(2)10-16(27)21-14-6-12(7-19-9-14)17-24-25-18(28-17)22-13-3-4-15-11(5-13)8-20-23-15/h3-9H,10H2,1-2H3,(H,20,23)(H,21,27)(H,22,25).
What are the key properties of 2-(dimethylamino)-N-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]acetamide?
2-(dimethylamino)-N-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]acetamide has a molecular weight of 394.46 g/mol, XLogP of 2.72, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 122507458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).