N-(1H-indazol-5-yl)-5-(5-thiophen-2-yl-3-pyridinyl)-1,3,4-thiadiazol-2-amine

C18H12N6S2 — CID 122522773

IUPACN-(1H-indazol-5-yl)-5-(5-thiophen-2-yl-3-pyridinyl)-1,3,4-thiadiazol-2-amine
SMILESc1csc(-c2cncc(-c3nnc(Nc4ccc5[nH]ncc5c4)s3)c2)c1
InChIInChI=1S/C18H12N6S2/c1-2-16(25-5-1)12-6-13(9-19-8-12)17-23-24-18(26-17)21-14-3-4-15-11(7-14)10-20-22-15/h1-10H,(H,20,22)(H,21,24)
InChIKeyBBUAINJIWXSURW-UHFFFAOYSA-N
MW376.47 g/mol
LogP4.95
Rot. Bonds4

About N-(1H-indazol-5-yl)-5-(5-thiophen-2-yl-3-pyridinyl)-1,3,4-thiadiazol-2-amine

N-(1H-indazol-5-yl)-5-(5-thiophen-2-yl-3-pyridinyl)-1,3,4-thiadiazol-2-amine (PubChem CID 122522773) has the molecular formula C18H12N6S2 and a molecular weight of 376.47 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-5-(5-thiophen-2-yl-3-pyridinyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-5-(5-thiophen-2-yl-3-pyridinyl)-1,3,4-thiadiazol-2-amine
PubChem CID122522773
Molecular FormulaC18H12N6S2
Molecular Weight376.47 g/mol
Exact Mass376.06
IUPAC NameN-(1H-indazol-5-yl)-5-(5-thiophen-2-yl-3-pyridinyl)-1,3,4-thiadiazol-2-amine
SMILESc1csc(-c2cncc(-c3nnc(Nc4ccc5[nH]ncc5c4)s3)c2)c1
InChIInChI=1S/C18H12N6S2/c1-2-16(25-5-1)12-6-13(9-19-8-12)17-23-24-18(26-17)21-14-3-4-15-11(7-14)10-20-22-15/h1-10H,(H,20,22)(H,21,24)
InChIKeyBBUAINJIWXSURW-UHFFFAOYSA-N
XLogP4.95
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.47
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(1H-indazol-5-yl)-5-(5-thiophen-2-yl-3-pyridinyl)-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]benzoic acid
CID 122507570
2-[4-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetic acid
CID 122522515
5-(4-amino-2-pyridinyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine;ethane
CID 145146553
6-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 137379434
N-[4-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-2-pyridinyl]-3H-pyrrole-5-carboxamide
CID 148976599
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]-4-(methylaminomethyl)benzamide
CID 122522830
N-(4-fluorophenyl)-1H-indazol-5-amine
CID 91229030
1-N-(4,6-dimethylpyrimidin-2-yl)-4-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzene-1,4-diamine
CID 108777594
(2R)-1-N-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-pyridin-4-ylpropane-1,2-diamine
CID 67091252
N-(1H-indazol-5-yl)-3-thiophen-2-ylpropanamide
CID 134050773
N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,3,4-thiadiazol-2-amine
CID 108772112

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-5-(5-thiophen-2-yl-3-pyridinyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(1H-indazol-5-yl)-5-(5-thiophen-2-yl-3-pyridinyl)-1,3,4-thiadiazol-2-amine (CID 122522773) is N-(1H-indazol-5-yl)-5-(5-thiophen-2-yl-3-pyridinyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(1H-indazol-5-yl)-5-(5-thiophen-2-yl-3-pyridinyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(1H-indazol-5-yl)-5-(5-thiophen-2-yl-3-pyridinyl)-1,3,4-thiadiazol-2-amine is c1csc(-c2cncc(-c3nnc(Nc4ccc5[nH]ncc5c4)s3)c2)c1.
What is the InChIKey of N-(1H-indazol-5-yl)-5-(5-thiophen-2-yl-3-pyridinyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is BBUAINJIWXSURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N6S2/c1-2-16(25-5-1)12-6-13(9-19-8-12)17-23-24-18(26-17)21-14-3-4-15-11(7-14)10-20-22-15/h1-10H,(H,20,22)(H,21,24).
What are the key properties of N-(1H-indazol-5-yl)-5-(5-thiophen-2-yl-3-pyridinyl)-1,3,4-thiadiazol-2-amine?
N-(1H-indazol-5-yl)-5-(5-thiophen-2-yl-3-pyridinyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 376.47 g/mol, XLogP of 4.95, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-5-(5-thiophen-2-yl-3-pyridinyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 122522773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).