(2E)-2-[2-methyl-1-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]prop-2-enylidene]pyridin-1-amine

C21H19N5S — CID 88984126

IUPAC(2E)-2-[2-methyl-1-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]prop-2-enylidene]pyridin-1-amine
SMILESC=C(C)/C(=C1/C=CC=CN1N)c1cc(-c2ccccc2)c(-c2ncn[nH]2)s1
InChIInChI=1S/C21H19N5S/c1-14(2)19(17-10-6-7-11-26(17)22)18-12-16(15-8-4-3-5-9-15)20(27-18)21-23-13-24-25-21/h3-13H,1,22H2,2H3,(H,23,24,25)/b19-17+
InChIKeyTTYAIPGEWZJTAJ-HTXNQAPBSA-N
MW373.49 g/mol
LogP4.75
Rot. Bonds4

About (2E)-2-[2-methyl-1-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]prop-2-enylidene]pyridin-1-amine

(2E)-2-[2-methyl-1-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]prop-2-enylidene]pyridin-1-amine (PubChem CID 88984126) has the molecular formula C21H19N5S and a molecular weight of 373.49 g/mol. Its IUPAC name is (2E)-2-[2-methyl-1-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]prop-2-enylidene]pyridin-1-amine.

Molecular Properties

Compound Name(2E)-2-[2-methyl-1-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]prop-2-enylidene]pyridin-1-amine
PubChem CID88984126
Molecular FormulaC21H19N5S
Molecular Weight373.49 g/mol
Exact Mass373.14
IUPAC Name(2E)-2-[2-methyl-1-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]prop-2-enylidene]pyridin-1-amine
SMILESC=C(C)/C(=C1/C=CC=CN1N)c1cc(-c2ccccc2)c(-c2ncn[nH]2)s1
InChIInChI=1S/C21H19N5S/c1-14(2)19(17-10-6-7-11-26(17)22)18-12-16(15-8-4-3-5-9-15)20(27-18)21-23-13-24-25-21/h3-13H,1,22H2,2H3,(H,23,24,25)/b19-17+
InChIKeyTTYAIPGEWZJTAJ-HTXNQAPBSA-N
XLogP4.75
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.49
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[2-methyl-1-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]prop-2-enylidene]pyridin-1-amine?
The IUPAC name of (2E)-2-[2-methyl-1-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]prop-2-enylidene]pyridin-1-amine (CID 88984126) is (2E)-2-[2-methyl-1-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]prop-2-enylidene]pyridin-1-amine.
What is the SMILES notation for (2E)-2-[2-methyl-1-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]prop-2-enylidene]pyridin-1-amine?
The canonical SMILES for (2E)-2-[2-methyl-1-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]prop-2-enylidene]pyridin-1-amine is C=C(C)/C(=C1/C=CC=CN1N)c1cc(-c2ccccc2)c(-c2ncn[nH]2)s1.
What is the InChIKey of (2E)-2-[2-methyl-1-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]prop-2-enylidene]pyridin-1-amine?
The InChIKey is TTYAIPGEWZJTAJ-HTXNQAPBSA-N. The full InChI is InChI=1S/C21H19N5S/c1-14(2)19(17-10-6-7-11-26(17)22)18-12-16(15-8-4-3-5-9-15)20(27-18)21-23-13-24-25-21/h3-13H,1,22H2,2H3,(H,23,24,25)/b19-17+.
What are the key properties of (2E)-2-[2-methyl-1-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]prop-2-enylidene]pyridin-1-amine?
(2E)-2-[2-methyl-1-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]prop-2-enylidene]pyridin-1-amine has a molecular weight of 373.49 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[2-methyl-1-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]prop-2-enylidene]pyridin-1-amine is sourced from PubChem (CID 88984126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).