N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine

C22H26N6OS — CID 42369560

IUPACN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCCn1nc(C)c(CNc2nc(C)c(-c3ccn(-c4ccc(OC)cc4)n3)s2)c1C
InChIInChI=1S/C22H26N6OS/c1-6-27-16(4)19(14(2)25-27)13-23-22-24-15(3)21(30-22)20-11-12-28(26-20)17-7-9-18(29-5)10-8-17/h7-12H,6,13H2,1-5H3,(H,23,24)
InChIKeyRACMZYZFUKDZFH-UHFFFAOYSA-N
MW422.56 g/mol
LogP4.76
Rot. Bonds7

About N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 42369560) has the molecular formula C22H26N6OS and a molecular weight of 422.56 g/mol. Its IUPAC name is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine
PubChem CID42369560
Molecular FormulaC22H26N6OS
Molecular Weight422.56 g/mol
Exact Mass422.19
IUPAC NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCCn1nc(C)c(CNc2nc(C)c(-c3ccn(-c4ccc(OC)cc4)n3)s2)c1C
InChIInChI=1S/C22H26N6OS/c1-6-27-16(4)19(14(2)25-27)13-23-22-24-15(3)21(30-22)20-11-12-28(26-20)17-7-9-18(29-5)10-8-17/h7-12H,6,13H2,1-5H3,(H,23,24)
InChIKeyRACMZYZFUKDZFH-UHFFFAOYSA-N
XLogP4.76
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.56
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine (CID 42369560) is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine is CCn1nc(C)c(CNc2nc(C)c(-c3ccn(-c4ccc(OC)cc4)n3)s2)c1C.
What is the InChIKey of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is RACMZYZFUKDZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6OS/c1-6-27-16(4)19(14(2)25-27)13-23-22-24-15(3)21(30-22)20-11-12-28(26-20)17-7-9-18(29-5)10-8-17/h7-12H,6,13H2,1-5H3,(H,23,24).
What are the key properties of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine?
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 422.56 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 42369560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).