N-[(2,5-dimethoxyphenyl)methyl]-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine

C17H20N4O2S — CID 126464995

IUPACN-[(2,5-dimethoxyphenyl)methyl]-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine
SMILESCOc1ccc(OC)c(CNc2nc(C)c(-c3ccn(C)n3)s2)c1
InChIInChI=1S/C17H20N4O2S/c1-11-16(14-7-8-21(2)20-14)24-17(19-11)18-10-12-9-13(22-3)5-6-15(12)23-4/h5-9H,10H2,1-4H3,(H,18,19)
InChIKeyWHNFUODEDMJSKU-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.48
Rot. Bonds6

About N-[(2,5-dimethoxyphenyl)methyl]-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine

N-[(2,5-dimethoxyphenyl)methyl]-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine (PubChem CID 126464995) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine
PubChem CID126464995
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine
SMILESCOc1ccc(OC)c(CNc2nc(C)c(-c3ccn(C)n3)s2)c1
InChIInChI=1S/C17H20N4O2S/c1-11-16(14-7-8-21(2)20-14)24-17(19-11)18-10-12-9-13(22-3)5-6-15(12)23-4/h5-9H,10H2,1-4H3,(H,18,19)
InChIKeyWHNFUODEDMJSKU-UHFFFAOYSA-N
XLogP3.48
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(cyclopropylmethyl)-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine
CID 118754279
5-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-N-[(2-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 26338246
N-(1,3-benzodioxol-5-ylmethyl)-5-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine
CID 25327297
4-methyl-5-[1-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrazol-3-yl]-N-[(2,4,6-trimethoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 125175892
4-methyl-5-[1-[[(3R)-1-methylpiperidin-3-yl]methyl]pyrazol-3-yl]-N-[(2,4,6-trimethoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 125175906
5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 26323593
N-[(3,4-dimethoxyphenyl)methyl]-4-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine
CID 26338269
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
N-[(3,4-dimethoxyphenyl)methyl]-4-methyl-5-[1-[[(3R)-1-methylpiperidin-3-yl]methyl]pyrazol-3-yl]-1,3-thiazol-2-amine
CID 125171576
5-[1-(1,3-benzodioxol-5-yl)pyrazol-3-yl]-N-[(3,5-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 26280921
N-[(2,5-dimethoxyphenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909000
5-[1-(1,3-benzodioxol-5-yl)pyrazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 42275380

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine (CID 126464995) is N-[(2,5-dimethoxyphenyl)methyl]-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine is COc1ccc(OC)c(CNc2nc(C)c(-c3ccn(C)n3)s2)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine?
The InChIKey is WHNFUODEDMJSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-11-16(14-7-8-21(2)20-14)24-17(19-11)18-10-12-9-13(22-3)5-6-15(12)23-4/h5-9H,10H2,1-4H3,(H,18,19).
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine?
N-[(2,5-dimethoxyphenyl)methyl]-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine has a molecular weight of 344.44 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 126464995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).