N-[[3-chloro-5-methoxy-4-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methoxy]phenyl]methyl]-2H-tetrazol-5-amine

C20H19ClN6O2S — CID 122194058

IUPACN-[[3-chloro-5-methoxy-4-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methoxy]phenyl]methyl]-2H-tetrazol-5-amine
SMILESCOc1cc(CNc2nn[nH]n2)cc(Cl)c1OCc1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C20H19ClN6O2S/c1-12-23-17(11-30-12)15-5-3-13(4-6-15)10-29-19-16(21)7-14(8-18(19)28-2)9-22-20-24-26-27-25-20/h3-8,11H,9-10H2,1-2H3,(H2,22,24,25,26,27)
InChIKeyYRMQONLQHVKIOG-UHFFFAOYSA-N
MW442.93 g/mol
LogP4.48
Rot. Bonds8

About N-[[3-chloro-5-methoxy-4-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methoxy]phenyl]methyl]-2H-tetrazol-5-amine

N-[[3-chloro-5-methoxy-4-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methoxy]phenyl]methyl]-2H-tetrazol-5-amine (PubChem CID 122194058) has the molecular formula C20H19ClN6O2S and a molecular weight of 442.93 g/mol. Its IUPAC name is N-[[3-chloro-5-methoxy-4-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methoxy]phenyl]methyl]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[[3-chloro-5-methoxy-4-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methoxy]phenyl]methyl]-2H-tetrazol-5-amine
PubChem CID122194058
Molecular FormulaC20H19ClN6O2S
Molecular Weight442.93 g/mol
Exact Mass442.10
IUPAC NameN-[[3-chloro-5-methoxy-4-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methoxy]phenyl]methyl]-2H-tetrazol-5-amine
SMILESCOc1cc(CNc2nn[nH]n2)cc(Cl)c1OCc1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C20H19ClN6O2S/c1-12-23-17(11-30-12)15-5-3-13(4-6-15)10-29-19-16(21)7-14(8-18(19)28-2)9-22-20-24-26-27-25-20/h3-8,11H,9-10H2,1-2H3,(H2,22,24,25,26,27)
InChIKeyYRMQONLQHVKIOG-UHFFFAOYSA-N
XLogP4.48
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.93
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[3-chloro-5-methoxy-4-[[4-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]-2H-tetrazol-5-amine
CID 122194056
5-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 36985907
2-[2-(3-Chloro-5-ethoxy-4-methoxyphenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazole
CID 4966630
2-[2-(3-Chloro-4-ethoxy-5-methoxyphenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazole
CID 4969699
2-[(E)-2-(3-chloro-5-ethoxy-4-methoxyphenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazole
CID 6236063
2-[(E)-2-(3-chloro-4-ethoxy-5-methoxyphenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazole
CID 6236442
5-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)-1,3,4-thiadiazol-2-amine
CID 16575989
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 17564348
4-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole
CID 30061503
4-[[5-[(2-Chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(3,4-dimethoxyphenyl)-1,3-thiazole
CID 45717104
N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 108771372
3-[(5-Chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1,2-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
CID 109422940

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-5-methoxy-4-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methoxy]phenyl]methyl]-2H-tetrazol-5-amine?
The IUPAC name of N-[[3-chloro-5-methoxy-4-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methoxy]phenyl]methyl]-2H-tetrazol-5-amine (CID 122194058) is N-[[3-chloro-5-methoxy-4-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methoxy]phenyl]methyl]-2H-tetrazol-5-amine.
What is the SMILES notation for N-[[3-chloro-5-methoxy-4-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methoxy]phenyl]methyl]-2H-tetrazol-5-amine?
The canonical SMILES for N-[[3-chloro-5-methoxy-4-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methoxy]phenyl]methyl]-2H-tetrazol-5-amine is COc1cc(CNc2nn[nH]n2)cc(Cl)c1OCc1ccc(-c2csc(C)n2)cc1.
What is the InChIKey of N-[[3-chloro-5-methoxy-4-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methoxy]phenyl]methyl]-2H-tetrazol-5-amine?
The InChIKey is YRMQONLQHVKIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6O2S/c1-12-23-17(11-30-12)15-5-3-13(4-6-15)10-29-19-16(21)7-14(8-18(19)28-2)9-22-20-24-26-27-25-20/h3-8,11H,9-10H2,1-2H3,(H2,22,24,25,26,27).
What are the key properties of N-[[3-chloro-5-methoxy-4-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methoxy]phenyl]methyl]-2H-tetrazol-5-amine?
N-[[3-chloro-5-methoxy-4-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methoxy]phenyl]methyl]-2H-tetrazol-5-amine has a molecular weight of 442.93 g/mol, XLogP of 4.48, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-5-methoxy-4-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methoxy]phenyl]methyl]-2H-tetrazol-5-amine is sourced from PubChem (CID 122194058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).