3-methyl-N-[[1-[(Z)-2-(methylideneamino)-2-pyridin-3-ylethenyl]-5-(1H-pyrazol-4-yl)imidazol-2-yl]methyl]-1,2-thiazol-5-amine

C19H18N8S — CID 143460995

IUPAC3-methyl-N-[[1-[(Z)-2-(methylideneamino)-2-pyridin-3-ylethenyl]-5-(1H-pyrazol-4-yl)imidazol-2-yl]methyl]-1,2-thiazol-5-amine
SMILESC=N/C(=C\n1c(-c2cn[nH]c2)cnc1CNc1cc(C)ns1)c1cccnc1
InChIInChI=1S/C19H18N8S/c1-13-6-19(28-26-13)23-11-18-22-10-17(15-8-24-25-9-15)27(18)12-16(20-2)14-4-3-5-21-7-14/h3-10,12,23H,2,11H2,1H3,(H,24,25)/b16-12-
InChIKeyMPGPYNBJYNYLFM-VBKFSLOCSA-N
MW390.48 g/mol
LogP3.70
Rot. Bonds7

About 3-methyl-N-[[1-[(Z)-2-(methylideneamino)-2-pyridin-3-ylethenyl]-5-(1H-pyrazol-4-yl)imidazol-2-yl]methyl]-1,2-thiazol-5-amine

3-methyl-N-[[1-[(Z)-2-(methylideneamino)-2-pyridin-3-ylethenyl]-5-(1H-pyrazol-4-yl)imidazol-2-yl]methyl]-1,2-thiazol-5-amine (PubChem CID 143460995) has the molecular formula C19H18N8S and a molecular weight of 390.48 g/mol. Its IUPAC name is 3-methyl-N-[[1-[(Z)-2-(methylideneamino)-2-pyridin-3-ylethenyl]-5-(1H-pyrazol-4-yl)imidazol-2-yl]methyl]-1,2-thiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-[[1-[(Z)-2-(methylideneamino)-2-pyridin-3-ylethenyl]-5-(1H-pyrazol-4-yl)imidazol-2-yl]methyl]-1,2-thiazol-5-amine
PubChem CID143460995
Molecular FormulaC19H18N8S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC Name3-methyl-N-[[1-[(Z)-2-(methylideneamino)-2-pyridin-3-ylethenyl]-5-(1H-pyrazol-4-yl)imidazol-2-yl]methyl]-1,2-thiazol-5-amine
SMILESC=N/C(=C\n1c(-c2cn[nH]c2)cnc1CNc1cc(C)ns1)c1cccnc1
InChIInChI=1S/C19H18N8S/c1-13-6-19(28-26-13)23-11-18-22-10-17(15-8-24-25-9-15)27(18)12-16(20-2)14-4-3-5-21-7-14/h3-10,12,23H,2,11H2,1H3,(H,24,25)/b16-12-
InChIKeyMPGPYNBJYNYLFM-VBKFSLOCSA-N
XLogP3.70
TPSA96.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[1-[(Z)-2-(methylideneamino)-2-pyridin-3-ylethenyl]-5-(1H-pyrazol-4-yl)imidazol-2-yl]methyl]-1,2-thiazol-5-amine?
The IUPAC name of 3-methyl-N-[[1-[(Z)-2-(methylideneamino)-2-pyridin-3-ylethenyl]-5-(1H-pyrazol-4-yl)imidazol-2-yl]methyl]-1,2-thiazol-5-amine (CID 143460995) is 3-methyl-N-[[1-[(Z)-2-(methylideneamino)-2-pyridin-3-ylethenyl]-5-(1H-pyrazol-4-yl)imidazol-2-yl]methyl]-1,2-thiazol-5-amine.
What is the SMILES notation for 3-methyl-N-[[1-[(Z)-2-(methylideneamino)-2-pyridin-3-ylethenyl]-5-(1H-pyrazol-4-yl)imidazol-2-yl]methyl]-1,2-thiazol-5-amine?
The canonical SMILES for 3-methyl-N-[[1-[(Z)-2-(methylideneamino)-2-pyridin-3-ylethenyl]-5-(1H-pyrazol-4-yl)imidazol-2-yl]methyl]-1,2-thiazol-5-amine is C=N/C(=C\n1c(-c2cn[nH]c2)cnc1CNc1cc(C)ns1)c1cccnc1.
What is the InChIKey of 3-methyl-N-[[1-[(Z)-2-(methylideneamino)-2-pyridin-3-ylethenyl]-5-(1H-pyrazol-4-yl)imidazol-2-yl]methyl]-1,2-thiazol-5-amine?
The InChIKey is MPGPYNBJYNYLFM-VBKFSLOCSA-N. The full InChI is InChI=1S/C19H18N8S/c1-13-6-19(28-26-13)23-11-18-22-10-17(15-8-24-25-9-15)27(18)12-16(20-2)14-4-3-5-21-7-14/h3-10,12,23H,2,11H2,1H3,(H,24,25)/b16-12-.
What are the key properties of 3-methyl-N-[[1-[(Z)-2-(methylideneamino)-2-pyridin-3-ylethenyl]-5-(1H-pyrazol-4-yl)imidazol-2-yl]methyl]-1,2-thiazol-5-amine?
3-methyl-N-[[1-[(Z)-2-(methylideneamino)-2-pyridin-3-ylethenyl]-5-(1H-pyrazol-4-yl)imidazol-2-yl]methyl]-1,2-thiazol-5-amine has a molecular weight of 390.48 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[1-[(Z)-2-(methylideneamino)-2-pyridin-3-ylethenyl]-5-(1H-pyrazol-4-yl)imidazol-2-yl]methyl]-1,2-thiazol-5-amine is sourced from PubChem (CID 143460995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).