N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-5-[1-methoxy-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine

C19H18ClFN6OS2 — CID 46946351

IUPACN-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-5-[1-methoxy-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCOC(C)(c1nc(C)cs1)c1nnc(Nc2ccn(Cc3c(F)cccc3Cl)n2)s1
InChIInChI=1S/C19H18ClFN6OS2/c1-11-10-29-16(22-11)19(2,28-3)17-24-25-18(30-17)23-15-7-8-27(26-15)9-12-13(20)5-4-6-14(12)21/h4-8,10H,9H2,1-3H3,(H,23,25,26)
InChIKeyARGBDTMUPSVSLT-UHFFFAOYSA-N
MW464.98 g/mol
LogP4.99
Rot. Bonds7

About N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-5-[1-methoxy-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine

N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-5-[1-methoxy-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 46946351) has the molecular formula C19H18ClFN6OS2 and a molecular weight of 464.98 g/mol. Its IUPAC name is N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-5-[1-methoxy-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-5-[1-methoxy-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID46946351
Molecular FormulaC19H18ClFN6OS2
Molecular Weight464.98 g/mol
Exact Mass464.07
IUPAC NameN-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-5-[1-methoxy-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCOC(C)(c1nc(C)cs1)c1nnc(Nc2ccn(Cc3c(F)cccc3Cl)n2)s1
InChIInChI=1S/C19H18ClFN6OS2/c1-11-10-29-16(22-11)19(2,28-3)17-24-25-18(30-17)23-15-7-8-27(26-15)9-12-13(20)5-4-6-14(12)21/h4-8,10H,9H2,1-3H3,(H,23,25,26)
InChIKeyARGBDTMUPSVSLT-UHFFFAOYSA-N
XLogP4.99
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.98
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-5-[1-methoxy-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-5-[1-methoxy-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-5-[1-methoxy-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine (CID 46946351) is N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-5-[1-methoxy-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-5-[1-methoxy-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-5-[1-methoxy-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine is COC(C)(c1nc(C)cs1)c1nnc(Nc2ccn(Cc3c(F)cccc3Cl)n2)s1.
What is the InChIKey of N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-5-[1-methoxy-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is ARGBDTMUPSVSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN6OS2/c1-11-10-29-16(22-11)19(2,28-3)17-24-25-18(30-17)23-15-7-8-27(26-15)9-12-13(20)5-4-6-14(12)21/h4-8,10H,9H2,1-3H3,(H,23,25,26).
What are the key properties of N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-5-[1-methoxy-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine?
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-5-[1-methoxy-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 464.98 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-5-[1-methoxy-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 46946351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).