2-(4-cyclopropyl-1,3-thiazol-2-yl)-N-(1H-indazol-7-ylmethyl)ethanamine

C16H18N4S — CID 75377665

IUPAC2-(4-cyclopropyl-1,3-thiazol-2-yl)-N-(1H-indazol-7-ylmethyl)ethanamine
SMILESc1cc(CNCCc2nc(C3CC3)cs2)c2[nH]ncc2c1
InChIInChI=1S/C16H18N4S/c1-2-12(16-13(3-1)9-18-20-16)8-17-7-6-15-19-14(10-21-15)11-4-5-11/h1-3,9-11,17H,4-8H2,(H,18,20)
InChIKeyXLYDNDGVLPTRMG-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.23
Rot. Bonds6

About 2-(4-cyclopropyl-1,3-thiazol-2-yl)-N-(1H-indazol-7-ylmethyl)ethanamine

2-(4-cyclopropyl-1,3-thiazol-2-yl)-N-(1H-indazol-7-ylmethyl)ethanamine (PubChem CID 75377665) has the molecular formula C16H18N4S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-(4-cyclopropyl-1,3-thiazol-2-yl)-N-(1H-indazol-7-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(4-cyclopropyl-1,3-thiazol-2-yl)-N-(1H-indazol-7-ylmethyl)ethanamine
PubChem CID75377665
Molecular FormulaC16H18N4S
Molecular Weight298.41 g/mol
Exact Mass298.13
IUPAC Name2-(4-cyclopropyl-1,3-thiazol-2-yl)-N-(1H-indazol-7-ylmethyl)ethanamine
SMILESc1cc(CNCCc2nc(C3CC3)cs2)c2[nH]ncc2c1
InChIInChI=1S/C16H18N4S/c1-2-12(16-13(3-1)9-18-20-16)8-17-7-6-15-19-14(10-21-15)11-4-5-11/h1-3,9-11,17H,4-8H2,(H,18,20)
InChIKeyXLYDNDGVLPTRMG-UHFFFAOYSA-N
XLogP3.23
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-1,3-thiazol-2-yl)-N-(1H-indazol-7-ylmethyl)ethanamine?
The IUPAC name of 2-(4-cyclopropyl-1,3-thiazol-2-yl)-N-(1H-indazol-7-ylmethyl)ethanamine (CID 75377665) is 2-(4-cyclopropyl-1,3-thiazol-2-yl)-N-(1H-indazol-7-ylmethyl)ethanamine.
What is the SMILES notation for 2-(4-cyclopropyl-1,3-thiazol-2-yl)-N-(1H-indazol-7-ylmethyl)ethanamine?
The canonical SMILES for 2-(4-cyclopropyl-1,3-thiazol-2-yl)-N-(1H-indazol-7-ylmethyl)ethanamine is c1cc(CNCCc2nc(C3CC3)cs2)c2[nH]ncc2c1.
What is the InChIKey of 2-(4-cyclopropyl-1,3-thiazol-2-yl)-N-(1H-indazol-7-ylmethyl)ethanamine?
The InChIKey is XLYDNDGVLPTRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-2-12(16-13(3-1)9-18-20-16)8-17-7-6-15-19-14(10-21-15)11-4-5-11/h1-3,9-11,17H,4-8H2,(H,18,20).
What are the key properties of 2-(4-cyclopropyl-1,3-thiazol-2-yl)-N-(1H-indazol-7-ylmethyl)ethanamine?
2-(4-cyclopropyl-1,3-thiazol-2-yl)-N-(1H-indazol-7-ylmethyl)ethanamine has a molecular weight of 298.41 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-1,3-thiazol-2-yl)-N-(1H-indazol-7-ylmethyl)ethanamine is sourced from PubChem (CID 75377665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).