3-amino-N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]pyrrolidine-1-carboxamide

C20H20N8OS — CID 122507399

IUPAC3-amino-N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]pyrrolidine-1-carboxamide
SMILESNC1CCN(C(=O)Nc2cccc(-c3nnc(Nc4ccc5[nH]ncc5c4)s3)c2)C1
InChIInChI=1S/C20H20N8OS/c21-14-6-7-28(11-14)20(29)24-15-3-1-2-12(8-15)18-26-27-19(30-18)23-16-4-5-17-13(9-16)10-22-25-17/h1-5,8-10,14H,6-7,11,21H2,(H,22,25)(H,23,27)(H,24,29)
InChIKeyREFBQYRKRSXIKV-UHFFFAOYSA-N
MW420.50 g/mol
LogP3.39
Rot. Bonds4

About 3-amino-N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]pyrrolidine-1-carboxamide

3-amino-N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]pyrrolidine-1-carboxamide (PubChem CID 122507399) has the molecular formula C20H20N8OS and a molecular weight of 420.50 g/mol. Its IUPAC name is 3-amino-N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]pyrrolidine-1-carboxamide
PubChem CID122507399
Molecular FormulaC20H20N8OS
Molecular Weight420.50 g/mol
Exact Mass420.15
IUPAC Name3-amino-N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]pyrrolidine-1-carboxamide
SMILESNC1CCN(C(=O)Nc2cccc(-c3nnc(Nc4ccc5[nH]ncc5c4)s3)c2)C1
InChIInChI=1S/C20H20N8OS/c21-14-6-7-28(11-14)20(29)24-15-3-1-2-12(8-15)18-26-27-19(30-18)23-16-4-5-17-13(9-16)10-22-25-17/h1-5,8-10,14H,6-7,11,21H2,(H,22,25)(H,23,27)(H,24,29)
InChIKeyREFBQYRKRSXIKV-UHFFFAOYSA-N
XLogP3.39
TPSA124.85 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.50
LogP ≤ 53.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

Indazolyl-thiadiazolamine derivative 1
CID 122507561
N-[3,4-difluoro-5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]-1-methylpyrazole-4-carboxamide
CID 122522616
N-[3,4-difluoro-5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]acetamide
CID 122522624
N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 122507386
N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]methanesulfonamide
CID 122507411
2-(dimethylamino)-N-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]acetamide
CID 122507458
N-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]-2-(propan-2-ylamino)acetamide
CID 122507488
N-(1H-Indazol-5-yl)-5-[3-(1H-pyrazol-4-yl)phenyl]-1,3,4-thiadiazol-2-amine
CID 122507502
N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]-1H-pyrazole-4-carboxamide
CID 122507505
1-ethyl-N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]pyrazole-4-carboxamide
CID 122507612
N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]-1-methylpyrazole-3-carboxamide
CID 122507619
N-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 122522770

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-amino-N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]pyrrolidine-1-carboxamide (CID 122507399) is 3-amino-N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-amino-N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-amino-N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]pyrrolidine-1-carboxamide is NC1CCN(C(=O)Nc2cccc(-c3nnc(Nc4ccc5[nH]ncc5c4)s3)c2)C1.
What is the InChIKey of 3-amino-N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]pyrrolidine-1-carboxamide?
The InChIKey is REFBQYRKRSXIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8OS/c21-14-6-7-28(11-14)20(29)24-15-3-1-2-12(8-15)18-26-27-19(30-18)23-16-4-5-17-13(9-16)10-22-25-17/h1-5,8-10,14H,6-7,11,21H2,(H,22,25)(H,23,27)(H,24,29).
What are the key properties of 3-amino-N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]pyrrolidine-1-carboxamide?
3-amino-N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]pyrrolidine-1-carboxamide has a molecular weight of 420.50 g/mol, XLogP of 3.39, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 122507399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).