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

C17H20N4OS — CID 133445832

IUPACN-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-4-phenyl-1,3-thiazol-2-amine
SMILESCCc1nn(C)c(OC)c1CNc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H20N4OS/c1-4-14-13(16(22-3)21(2)20-14)10-18-17-19-15(11-23-17)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3,(H,18,19)
InChIKeyHGZWIFXZRHLXRY-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.73
Rot. Bonds6

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

N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 133445832) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-4-phenyl-1,3-thiazol-2-amine
PubChem CID133445832
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC NameN-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-4-phenyl-1,3-thiazol-2-amine
SMILESCCc1nn(C)c(OC)c1CNc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H20N4OS/c1-4-14-13(16(22-3)21(2)20-14)10-18-17-19-15(11-23-17)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3,(H,18,19)
InChIKeyHGZWIFXZRHLXRY-UHFFFAOYSA-N
XLogP3.73
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-4-phenyl-1,3-thiazol-2-amine (CID 133445832) is N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-4-phenyl-1,3-thiazol-2-amine is CCc1nn(C)c(OC)c1CNc1nc(-c2ccccc2)cs1.
What is the InChIKey of N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is HGZWIFXZRHLXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-4-14-13(16(22-3)21(2)20-14)10-18-17-19-15(11-23-17)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3,(H,18,19).
What are the key properties of N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-4-phenyl-1,3-thiazol-2-amine?
N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 328.44 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 133445832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).