[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1-methyltetrazol-5-yl)phenyl]methanol

C18H14ClN9OS — CID 122522630

IUPAC[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1-methyltetrazol-5-yl)phenyl]methanol
SMILESCn1nnnc1-c1cc(CO)cc(-c2nnc(Nc3ccc4[nH]ncc4c3Cl)s2)c1
InChIInChI=1S/C18H14ClN9OS/c1-28-16(23-26-27-28)10-4-9(8-29)5-11(6-10)17-24-25-18(30-17)21-14-3-2-13-12(15(14)19)7-20-22-13/h2-7,29H,8H2,1H3,(H,20,22)(H,21,25)
InChIKeyIQFOIIQOXJOCAC-UHFFFAOYSA-N
MW439.89 g/mol
LogP3.16
Rot. Bonds5

About [3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1-methyltetrazol-5-yl)phenyl]methanol

[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1-methyltetrazol-5-yl)phenyl]methanol (PubChem CID 122522630) has the molecular formula C18H14ClN9OS and a molecular weight of 439.89 g/mol. Its IUPAC name is [3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1-methyltetrazol-5-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1-methyltetrazol-5-yl)phenyl]methanol
PubChem CID122522630
Molecular FormulaC18H14ClN9OS
Molecular Weight439.89 g/mol
Exact Mass439.07
IUPAC Name[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1-methyltetrazol-5-yl)phenyl]methanol
SMILESCn1nnnc1-c1cc(CO)cc(-c2nnc(Nc3ccc4[nH]ncc4c3Cl)s2)c1
InChIInChI=1S/C18H14ClN9OS/c1-28-16(23-26-27-28)10-4-9(8-29)5-11(6-10)17-24-25-18(30-17)21-14-3-2-13-12(15(14)19)7-20-22-13/h2-7,29H,8H2,1H3,(H,20,22)(H,21,25)
InChIKeyIQFOIIQOXJOCAC-UHFFFAOYSA-N
XLogP3.16
TPSA130.32 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.89
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze [3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1-methyltetrazol-5-yl)phenyl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1-methyltetrazol-5-yl)phenyl]methanol?
The IUPAC name of [3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1-methyltetrazol-5-yl)phenyl]methanol (CID 122522630) is [3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1-methyltetrazol-5-yl)phenyl]methanol.
What is the SMILES notation for [3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1-methyltetrazol-5-yl)phenyl]methanol?
The canonical SMILES for [3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1-methyltetrazol-5-yl)phenyl]methanol is Cn1nnnc1-c1cc(CO)cc(-c2nnc(Nc3ccc4[nH]ncc4c3Cl)s2)c1.
What is the InChIKey of [3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1-methyltetrazol-5-yl)phenyl]methanol?
The InChIKey is IQFOIIQOXJOCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN9OS/c1-28-16(23-26-27-28)10-4-9(8-29)5-11(6-10)17-24-25-18(30-17)21-14-3-2-13-12(15(14)19)7-20-22-13/h2-7,29H,8H2,1H3,(H,20,22)(H,21,25).
What are the key properties of [3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1-methyltetrazol-5-yl)phenyl]methanol?
[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1-methyltetrazol-5-yl)phenyl]methanol has a molecular weight of 439.89 g/mol, XLogP of 3.16, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1-methyltetrazol-5-yl)phenyl]methanol is sourced from PubChem (CID 122522630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).