N-[(Z)-1H-indol-3-ylmethylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine

C19H16N4OS — CID 135860253

IUPACN-[(Z)-1H-indol-3-ylmethylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(N/N=C\c3c[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C19H16N4OS/c1-24-15-8-6-13(7-9-15)18-12-25-19(22-18)23-21-11-14-10-20-17-5-3-2-4-16(14)17/h2-12,20H,1H3,(H,22,23)/b21-11-
InChIKeyPQCXZVQZHRZEGR-NHDPSOOVSA-N
MW348.43 g/mol
LogP4.75
Rot. Bonds5

About N-[(Z)-1H-indol-3-ylmethylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine

N-[(Z)-1H-indol-3-ylmethylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 135860253) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[(Z)-1H-indol-3-ylmethylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-1H-indol-3-ylmethylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
PubChem CID135860253
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC NameN-[(Z)-1H-indol-3-ylmethylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(N/N=C\c3c[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C19H16N4OS/c1-24-15-8-6-13(7-9-15)18-12-25-19(22-18)23-21-11-14-10-20-17-5-3-2-4-16(14)17/h2-12,20H,1H3,(H,22,23)/b21-11-
InChIKeyPQCXZVQZHRZEGR-NHDPSOOVSA-N
XLogP4.75
TPSA62.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_thiophene_A(11)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1H-indol-3-ylmethylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(Z)-1H-indol-3-ylmethylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine (CID 135860253) is N-[(Z)-1H-indol-3-ylmethylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(Z)-1H-indol-3-ylmethylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(Z)-1H-indol-3-ylmethylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine is COc1ccc(-c2csc(N/N=C\c3c[nH]c4ccccc34)n2)cc1.
What is the InChIKey of N-[(Z)-1H-indol-3-ylmethylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is PQCXZVQZHRZEGR-NHDPSOOVSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-24-15-8-6-13(7-9-15)18-12-25-19(22-18)23-21-11-14-10-20-17-5-3-2-4-16(14)17/h2-12,20H,1H3,(H,22,23)/b21-11-.
What are the key properties of N-[(Z)-1H-indol-3-ylmethylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
N-[(Z)-1H-indol-3-ylmethylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 348.43 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1H-indol-3-ylmethylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 135860253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).