2-N-[[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine

C17H20N6OS — CID 168626634

IUPAC2-N-[[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
SMILESCC(C)Oc1ccc(C=NNc2nc(N)cs2)cc1Cn1cccn1
InChIInChI=1S/C17H20N6OS/c1-12(2)24-15-5-4-13(8-14(15)10-23-7-3-6-20-23)9-19-22-17-21-16(18)11-25-17/h3-9,11-12H,10,18H2,1-2H3,(H,21,22)
InChIKeyXVWUMSZRJIQKBN-UHFFFAOYSA-N
MW356.46 g/mol
LogP3.20
Rot. Bonds7

About 2-N-[[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine

2-N-[[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine (PubChem CID 168626634) has the molecular formula C17H20N6OS and a molecular weight of 356.46 g/mol. Its IUPAC name is 2-N-[[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine.

Molecular Properties

Compound Name2-N-[[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
PubChem CID168626634
Molecular FormulaC17H20N6OS
Molecular Weight356.46 g/mol
Exact Mass356.14
IUPAC Name2-N-[[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
SMILESCC(C)Oc1ccc(C=NNc2nc(N)cs2)cc1Cn1cccn1
InChIInChI=1S/C17H20N6OS/c1-12(2)24-15-5-4-13(8-14(15)10-23-7-3-6-20-23)9-19-22-17-21-16(18)11-25-17/h3-9,11-12H,10,18H2,1-2H3,(H,21,22)
InChIKeyXVWUMSZRJIQKBN-UHFFFAOYSA-N
XLogP3.20
TPSA90.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-N-[[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-[[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine?
The IUPAC name of 2-N-[[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine (CID 168626634) is 2-N-[[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine.
What is the SMILES notation for 2-N-[[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine?
The canonical SMILES for 2-N-[[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine is CC(C)Oc1ccc(C=NNc2nc(N)cs2)cc1Cn1cccn1.
What is the InChIKey of 2-N-[[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine?
The InChIKey is XVWUMSZRJIQKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6OS/c1-12(2)24-15-5-4-13(8-14(15)10-23-7-3-6-20-23)9-19-22-17-21-16(18)11-25-17/h3-9,11-12H,10,18H2,1-2H3,(H,21,22).
What are the key properties of 2-N-[[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine?
2-N-[[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine has a molecular weight of 356.46 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine is sourced from PubChem (CID 168626634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).